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  1. ALA5282145

    Name:
    (R)-3-(1,3-dimethyl-1H-pyrazolo[4,3-e][1,2,4]triazin-5-yl)-4-ethoxy-N-(1-hyShow More

    Mol. Formula:
    C17H22N6O4S

    M.W.:
    406.47

    Type:
    ---

    AlogP:
    0.79

    Polar Surface Area:
    132.12

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  2. ALA5274281

    Name:
    (R)-3-(1,3-dimethyl-1H-pyrazolo[4,3-e][1,2,4]triazin-5-yl)-4-ethoxy-N-(1-hyShow More

    Mol. Formula:
    C20H28N6O4S

    M.W.:
    448.55

    Type:
    ---

    AlogP:
    1.82

    Polar Surface Area:
    132.12

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  3. ALA5316206

    Name:
    Dehydroglyasperin D

    Mol. Formula:
    C22H24O5

    M.W.:
    368.43

    Type:
    ---

    AlogP:
    4.56

    Polar Surface Area:
    68.15

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  4. ALA4795966

    Name:
    N-(4-(2,4-dihydroxyphenyl)thiazol-2-yl)benzamide

    Mol. Formula:
    C16H12N2O3S

    M.W.:
    312.35

    Type:
    Unknown

    AlogP:
    3.47

    Polar Surface Area:
    82.45

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  5. ALA4794995

    Name:
    5-hydroxy-2-methyl-1-propylpyridin-4(1H)-one

    Mol. Formula:
    C9H13NO2

    M.W.:
    167.21

    Type:
    Unknown

    AlogP:
    1.27

    Polar Surface Area:
    42.23

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.72

    DETAILS
  6. ALA4793194

    Name:
    (S)-2-(2-(4-(dimethylamino)phenyl)acetamido)-N1-(3-morpholinobenzyl)pentaneShow More

    Mol. Formula:
    C26H35N5O4

    M.W.:
    481.60

    Type:
    Unknown

    AlogP:
    1.20

    Polar Surface Area:
    117.00

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  7. ALA4793080

    Name:
    (2S,12R,15R,18R)-12-(carboxymethyl)-2-((1-(3',6'-dihydroxy-3-oxo-3H-spiro[iShow More

    Mol. Formula:
    C67H74N14O21S2

    M.W.:
    1475.54

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA4793063

    Name:
    Kinobeon A

    Mol. Formula:
    C20H20O6

    M.W.:
    356.37

    Type:
    Unknown

    AlogP:
    2.68

    Polar Surface Area:
    71.06

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  9. ALA4792744

    Name:
    N-(4-(2,4-dihydroxyphenyl)thiazol-2-yl)-4-(hydroxymethyl)benzamide

    Mol. Formula:
    C17H14N2O4S

    M.W.:
    342.38

    Type:
    Unknown

    AlogP:
    2.97

    Polar Surface Area:
    102.68

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  10. ALA4792623

    Name:
    3,4,6-trihydroxy-1-methyl-xanthen-9-one

    Mol. Formula:
    C14H10O5

    M.W.:
    258.23

    Type:
    Unknown

    AlogP:
    2.37

    Polar Surface Area:
    90.90

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  11. ALA4787808

    Name:
    (2S,12R,15R,18R)-18-((S)-2,6-bis(6-(5-(4-(4-(4-(2,4-dihydroxyphenyl)thiazolShow More

    Mol. Formula:
    C105H129N23O28S3

    M.W.:
    2257.52

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA4782537

    Name:
    N-(4-(2,4-dihydroxyphenyl)thiazol-2-yl)acetamide

    Mol. Formula:
    C11H10N2O3S

    M.W.:
    250.28

    Type:
    Unknown

    AlogP:
    2.18

    Polar Surface Area:
    82.45

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  13. ALA4779410

    Name:
    (S)-2-(2-(4-(dimethylamino)phenyl)acetamido)-N1-(2-(pyrrolidin-1-yl)benzyl)Show More

    Mol. Formula:
    C26H35N5O3

    M.W.:
    465.60

    Type:
    Unknown

    AlogP:
    1.96

    Polar Surface Area:
    107.77

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  14. ALA4777553

    Name:
    1-butyl-5-hydroxy-2-methylpyridin-4(1H)-one

    Mol. Formula:
    C10H15NO2

    M.W.:
    181.24

    Type:
    Unknown

    AlogP:
    1.66

    Polar Surface Area:
    42.23

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.77

    DETAILS
  15. ALA4777163

    Name:
    (2S,12R,15R,18R)-18-((S)-6-((S)-2,6-bis(6-(5-(4-(4-(4-(2,4-dihydroxyphenyl)Show More

    Mol. Formula:
    C169H217N39O40S5

    M.W.:
    3595.16

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA4763438

    Name:
    N-(4-(2,4-dihydroxyphenyl)thiazol-2-yl)pivalamide

    Mol. Formula:
    C14H16N2O3S

    M.W.:
    292.36

    Type:
    Unknown

    AlogP:
    3.21

    Polar Surface Area:
    82.45

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  17. ALA4762659

    Name:
    3,4-dimethoxy-1-methyl-xanthen-9-one

    Mol. Formula:
    C16H14O4

    M.W.:
    270.28

    Type:
    Unknown

    AlogP:
    3.27

    Polar Surface Area:
    48.67

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  18. ALA4759198

    Name:
    Ascorbyl 2-p-coumarate

    Mol. Formula:
    C15H14O8

    M.W.:
    322.27

    Type:
    Unknown

    AlogP:
    0.00

    Polar Surface Area:
    133.52

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  19. ALA4757912

    Name:
    Ascorbyl 3-p-coumarate

    Mol. Formula:
    C15H14O8

    M.W.:
    322.27

    Type:
    Unknown

    AlogP:
    0.00

    Polar Surface Area:
    133.52

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  20. ALA4757374

    Name:
    N-(4-(2,4-dihydroxyphenyl)thiazol-2-yl)cyclohexanecarboxamide

    Mol. Formula:
    C16H18N2O3S

    M.W.:
    318.40

    Type:
    Unknown

    AlogP:
    3.74

    Polar Surface Area:
    82.45

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
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