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Compounds

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  1. ALA3244673

    Name:
    (5R,6S)-5-(4-hydroxyphenyl)-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

    Mol. Formula:
    C22H20O2

    M.W.:
    316.40

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    4.96

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  2. cis-4-(1,2,3,4-Tetrahydro-6-methoxy-2-phenyl-1-naphthalenyl)phenol

    Name:
    4-((1R,2S)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenol

    Mol. Formula:
    C23H22O2

    M.W.:
    330.43

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    5.26

    Polar Surface Area:
    29.46

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  3. ALA3244671

    Name:
    3-(4-((1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy)Show More⌵

    Mol. Formula:
    C25H26O4

    M.W.:
    390.48

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    3.99

    Polar Surface Area:
    69.92

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  4. ALA2260746

    Name:
    cis-2,2-dimethyl-3-phenyl-4-(p-hydroxyphenyl)-7-methoxy chroman

    Mol. Formula:
    C24H24O3

    M.W.:
    360.45

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    5.49

    Polar Surface Area:
    38.69

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  5. ALA2260745

    Name:
    4-((3S,4S)-7-methoxy-2,2-dimethyl-3-phenylchroman-4-yl)phenol

    Mol. Formula:
    C24H24O3

    M.W.:
    360.45

    4  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    5.49

    Polar Surface Area:
    38.69

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  6. ALA2260744

    Name:
    trans-2,2-dimethyl-3-phenyl-4-(p-hydroxyphenyl)-7-methoxy chroman

    Mol. Formula:
    C24H24O3

    M.W.:
    360.45

    6  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    5.49

    Polar Surface Area:
    38.69

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  7. ALA539849

    Name:
    6-(4-Hydroxy-phenyl)-5-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-naphthalen-2-olShow More⌵

    Mol. Formula:
    C30H32ClNO3

    M.W.:
    490.04

    5  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    6.37

    Polar Surface Area:
    52.93

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  8. ALA536733

    Name:
    6-(4-Methanesulfonyl-phenyl)-5-[4-(2-piperidin-1-yl-ethoxy)-phenoxy]-naphthShow More⌵

    Mol. Formula:
    C30H32ClNO5S

    M.W.:
    554.11

    5  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    6.27

    Polar Surface Area:
    76.07

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  9. ALA557981

    Name:
    6-(4-Methanesulfonyl-phenyl)-5-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-naphthaShow More⌵

    Mol. Formula:
    C31H34ClNO4S

    M.W.:
    552.14

    5  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    6.07

    Polar Surface Area:
    66.84

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  10. ALA537638

    Name:
    6-(4-Fluoro-phenyl)-5-[4-(2-piperidin-1-yl-ethoxy)-phenoxy]-naphthalen-2-olShow More⌵

    Mol. Formula:
    C29H29ClFNO3

    M.W.:
    494.01

    5  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    7.01

    Polar Surface Area:
    41.93

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  11. ALA483250

    Name:
    12-{2-[2-(2-piperidin-1-yl-ethyl)-1H-tetrazol-5-yl]-ethyl}-6,7-dihydro-12H-Show More⌵

    Mol. Formula:
    C26H30N6S

    M.W.:
    458.64

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.67

    Polar Surface Area:
    51.77

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  12. ALA520626

    Name:
    12-{2-[1-(2-Pyrrolidin-1-yl-ethyl)-2H-tetrazol-5-yl]-ethyl}-6,7-dihydro-12HShow More⌵

    Mol. Formula:
    C25H28N6O

    M.W.:
    428.54

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.57

    Polar Surface Area:
    61.00

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  13. ALA484066

    Name:
    12-{2-[1-(2-Pyrrolidin-1-yl-ethyl)-2H-tetrazol-5-yl]-ethyl}-6,7-dihydro-12HShow More⌵

    Mol. Formula:
    C25H28N6S

    M.W.:
    444.61

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.28

    Polar Surface Area:
    51.77

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  14. ALA520338

    Name:
    12-{2-[1-(2-Piperidine-1-yl-ethyl)-1H-tetrazol-5-yl]-ethyl}-5,6,7,12-tetrahShow More⌵

    Mol. Formula:
    C27H32N6

    M.W.:
    440.60

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.51

    Polar Surface Area:
    51.77

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  15. ALA482622

    Name:
    12-{2-[1-(2-Piperidin-1-yl-ethyl)-2H-tetrazol-5-yl]-ethyl}-6,7-dihydro-12H-Show More⌵

    Mol. Formula:
    C26H30N6O

    M.W.:
    442.57

    4  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.96

    Polar Surface Area:
    61.00

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  16. ALA520126

    Name:
    12-{2-[1-(2-Piperidin-1-yl-ethyl)-2H-tetrazol-5-yl]-ethyl}-6,7-dihydro-12H-Show More⌵

    Mol. Formula:
    C26H30N6S

    M.W.:
    458.64

    4  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.67

    Polar Surface Area:
    51.77

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  17. ALA523482

    Name:
    12-{2-[2-(2-Pyrrolidin-1-yl-ethyl)-1H-tetrazol-5-yl]-ethyl}-5,6,7,12-tetrahShow More⌵

    Mol. Formula:
    C26H30N6

    M.W.:
    426.57

    5  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.12

    Polar Surface Area:
    51.77

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  18. ALA522755

    Name:
    12-{2-[2-(2-Pyrrolidin-1-yl-ethyl)-1H-tetrazol-5-yl]-ethyl}-6,7-dihydro-12HShow More⌵

    Mol. Formula:
    C25H28N6O

    M.W.:
    428.54

    4  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.57

    Polar Surface Area:
    61.00

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  19. ALA490397

    Name:
    12-{2-[2-(2-Pyrrolidin-1-yl-ethyl)-1H-tetrazol-5-yl]-ethyl}-6,7-dihydro-12HShow More⌵

    Mol. Formula:
    C25H28N6S

    M.W.:
    444.61

    4  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.28

    Polar Surface Area:
    51.77

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  20. ALA521939

    Name:
    12-{2-[2-(2-Piperidine-1-yl-ethyl)-1H-tetrazol-5-yl]-ethyl}-5,6,7,12-tetrahShow More⌵

    Mol. Formula:
    C27H32N6

    M.W.:
    440.60

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.51

    Polar Surface Area:
    51.77

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
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