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Compounds

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  1. ALA2288299

    Name:
    Isothymol

    Mol. Formula:
    C10H14O

    M.W.:
    150.22

    8  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    2.82

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.65

    DETAILS
  2. ALA2288298

    Name:
    (S)-2-(4-Allyl-2-methoxy-phenoxy)-4-((S)-sec-butyl)-[1,3,2]oxazaphospholidiShow More⌵

    Mol. Formula:
    C16H24NO3PS

    M.W.:
    341.41

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.06

    Polar Surface Area:
    39.72

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  3. ALA2288297

    Name:
    (S)-4-((S)-sec-Butyl)-2-(2-isopropyl-5-methyl-phenoxy)-[1,3,2]oxazaphospholShow More⌵

    Mol. Formula:
    C16H26NO2PS

    M.W.:
    327.43

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.76

    Polar Surface Area:
    30.49

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  4. ALA2288296

    Name:
    (S)-4-((S)-sec-Butyl)-2-(2-isopropyl-4-methyl-phenoxy)-[1,3,2]oxazaphospholShow More⌵

    Mol. Formula:
    C16H26NO2PS

    M.W.:
    327.43

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.76

    Polar Surface Area:
    30.49

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  5. ALA2288295

    Name:
    (S)-4-((S)-sec-Butyl)-2-(3,7-dimethyl-oct-6-enyloxy)-[1,3,2]oxazaphospholidShow More⌵

    Mol. Formula:
    C16H32NO2PS

    M.W.:
    333.48

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    5.03

    Polar Surface Area:
    30.49

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  6. ALA2288294

    Name:
    (S)-4-((S)-sec-Butyl)-2-((E)-3,7-di methyl-octa-2,6-dienyloxy)-[1,3,2]oxazaShow More⌵

    Mol. Formula:
    C16H30NO2PS

    M.W.:
    331.46

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.95

    Polar Surface Area:
    30.49

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  7. ALA2285700

    Name:
    (S)-2-(4-Allyl-2-methoxy-phenoxy)-4-isobutyl-[1,3,2]oxazaphospholidine 2-suShow More⌵

    Mol. Formula:
    C16H24NO3PS

    M.W.:
    341.41

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.06

    Polar Surface Area:
    39.72

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  8. ALA2288293

    Name:
    (S)-4-Isobutyl-2-(2-isopropyl-5-methyl-phenoxy)-[1,3,2]oxazaphospholidine 2Show More⌵

    Mol. Formula:
    C16H26NO2PS

    M.W.:
    327.43

    4  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.76

    Polar Surface Area:
    30.49

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  9. ALA2288292

    Name:
    (S)-4-Isobutyl-2-(2-isopropyl-4-methyl-phenoxy)-[1,3,2]oxazaphospholidine 2Show More⌵

    Mol. Formula:
    C16H26NO2PS

    M.W.:
    327.43

    4  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.76

    Polar Surface Area:
    30.49

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  10. ALA2288291

    Name:
    (S)-2-(3,7-Dimethyl-oct-6-enyloxy)-4-isobutyl-[1,3,2]oxazaphospholidine 2-sShow More⌵

    Mol. Formula:
    C16H32NO2PS

    M.W.:
    333.48

    4  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    5.03

    Polar Surface Area:
    30.49

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  11. ALA2288290

    Name:
    (S)-2-((E)-3,7-Dimethyl-octa-2,6-dienyloxy)-4-isobutyl-[1,3,2]oxazaphospholShow More⌵

    Mol. Formula:
    C16H30NO2PS

    M.W.:
    331.46

    4  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.95

    Polar Surface Area:
    30.49

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  12. ALA2288289

    Name:
    (S)-2-(4-Allyl-2-methoxy-phenoxy)-4-isopropyl-[1,3,2]oxazaphospholidine 2-sShow More⌵

    Mol. Formula:
    C15H22NO3PS

    M.W.:
    327.39

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.67

    Polar Surface Area:
    39.72

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  13. ALA2288288

    Name:
    (S)-4-Isopropyl-2-(2-isopropyl-5-methyl-phenoxy)-[1,3,2]oxazaphospholidine Show More⌵

    Mol. Formula:
    C15H24NO2PS

    M.W.:
    313.40

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.37

    Polar Surface Area:
    30.49

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  14. ALA2288287

    Name:
    (S)-4-Isopropyl-2-(2-isopropyl-4-methyl-phenoxy)-[1,3,2]oxazaphospholidine Show More⌵

    Mol. Formula:
    C15H24NO2PS

    M.W.:
    313.40

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.37

    Polar Surface Area:
    30.49

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  15. ALA2288286

    Name:
    (S)-2-(3,7-Dimethyl-oct-6-enyloxy)-4-isopropyl-[1,3,2]oxazaphospholidine 2-Show More⌵

    Mol. Formula:
    C15H30NO2PS

    M.W.:
    319.45

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.64

    Polar Surface Area:
    30.49

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  16. ALA2288285

    Name:
    (S)-2-((E)-3,7-Dimethyl-octa-2,6-dienyloxy)-4-isopropyl-[1,3,2]oxazaphosphoShow More⌵

    Mol. Formula:
    C15H28NO2PS

    M.W.:
    317.44

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.56

    Polar Surface Area:
    30.49

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  17. ALA2288284

    Name:
    (S)-2-(2-Isopropyl-5-methyl-phenoxy)-4-methyl-[1,3,2]oxazaphospholidine 2-sShow More⌵

    Mol. Formula:
    C13H20NO2PS

    M.W.:
    285.35

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    30.49

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  18. ALA2288144

    Name:
    (S)-2-(2-Isopropyl-4-methyl-phenoxy)-4-methyl-[1,3,2]oxazaphospholidine 2-sShow More⌵

    Mol. Formula:
    C13H20NO2PS

    M.W.:
    285.35

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    30.49

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  19. ALA2288143

    Name:
    (S)-2-(3,7-Dimethyl-oct-6-enyloxy)-4-methyl-[1,3,2]oxazaphospholidine 2-sulShow More⌵

    Mol. Formula:
    C13H26NO2PS

    M.W.:
    291.40

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.01

    Polar Surface Area:
    30.49

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  20. ALA2288142

    Name:
    (S)-2-((E)-3,7-Dimethyl-octa-2,6-dienyloxy)-4-methyl-[1,3,2]oxazaphospholidShow More⌵

    Mol. Formula:
    C13H24NO2PS

    M.W.:
    289.38

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.93

    Polar Surface Area:
    30.49

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
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