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  1. ALA5270755

    Name:
    (4-(2-(chloromethyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yShow More

    Mol. Formula:
    C20H21ClN4O2S

    M.W.:
    416.93

    Type:
    ---

    AlogP:
    3.86

    Polar Surface Area:
    62.47

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  2. ALA5270707

    Name:

    Mol. Formula:
    C26H24N2O3

    M.W.:
    412.49

    Type:
    ---

    AlogP:
    4.29

    Polar Surface Area:
    43.70

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  3. ALA5268104

    Name:
    N-((3s,5s,7s)-adamantan-1-yl)-4-methyl-5-phenyl-1-(4-thiocyanatobutyl)-1H-pShow More

    Mol. Formula:
    C26H32N4OS

    M.W.:
    448.64

    Type:
    ---

    AlogP:
    5.55

    Polar Surface Area:
    70.71

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  4. ALA5267903

    Name:
    4-(4-(1-(2,4-dichlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)-1H-pyrazoShow More

    Mol. Formula:
    C26H25Cl2N5O4

    M.W.:
    542.42

    Type:
    ---

    AlogP:
    5.24

    Polar Surface Area:
    102.53

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  5. ALA5267725

    Name:
    6-chloro-2,3,5-trimethylpyrimidin-4(3H)-one

    Mol. Formula:
    C7H9ClN2O

    M.W.:
    172.61

    Type:
    ---

    AlogP:
    1.05

    Polar Surface Area:
    34.89

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.55

    DETAILS
  6. ALA5286922

    Name:
    6-chloro-2,5-dimethylpyrimidin-4-ol

    Mol. Formula:
    C6H7ClN2O

    M.W.:
    158.59

    Type:
    ---

    AlogP:
    1.45

    Polar Surface Area:
    46.01

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.58

    DETAILS
  7. ALA5285314

    Name:
    5-chloropyrazin-2(1H)-one

    Mol. Formula:
    C4H3ClN2O

    M.W.:
    130.53

    Type:
    ---

    AlogP:
    0.42

    Polar Surface Area:
    45.75

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.55

    DETAILS
  8. ALA5284821

    Name:
    6,8-Dimethyl-2-(pyridin-2-yl)-quinoline-4-carboxylic acid

    Mol. Formula:
    C17H14N2O2

    M.W.:
    278.31

    Type:
    ---

    AlogP:
    3.61

    Polar Surface Area:
    63.08

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  9. ALA5220222

    Name:
    1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)-1H-indole-3-carboxamide

    Mol. Formula:
    C23H27FN2O

    M.W.:
    366.48

    Type:
    ---

    AlogP:
    5.45

    Polar Surface Area:
    34.03

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  10. ALA5219235

    Name:
    1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)-1H-indazole-3-carboxamide

    Mol. Formula:
    C22H26FN3O

    M.W.:
    367.47

    Type:
    ---

    AlogP:
    4.84

    Polar Surface Area:
    46.92

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  11. ALA5218844

    Name:
    1-(5-fluoropentyl)-N-(2-phenylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbShow More

    Mol. Formula:
    C22H26FN3O

    M.W.:
    367.47

    Type:
    ---

    AlogP:
    4.84

    Polar Surface Area:
    46.92

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  12. ALA5209051

    Name:
    (S)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-butyl-1H-pyrrolo[2,3-b]pyridineShow More

    Mol. Formula:
    C21H24N4O2

    M.W.:
    364.45

    Type:
    ---

    AlogP:
    2.66

    Polar Surface Area:
    90.01

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  13. ALA5208741

    Name:
    (S)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-butyl-1H-indole-3-carboxamide

    Mol. Formula:
    C18H25N3O2

    M.W.:
    315.42

    Type:
    ---

    AlogP:
    2.68

    Polar Surface Area:
    77.12

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  14. ALA5208223

    Name:
    1-(4-fluorobutyl)-2-oxo-N-(pyridin-3-yl)-1,2-dihydro-1,8-naphthyridine-3-caShow More

    Mol. Formula:
    C18H17FN4O2

    M.W.:
    340.36

    Type:
    ---

    AlogP:
    2.79

    Polar Surface Area:
    76.88

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  15. ALA5206032

    Name:
    (S)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-butyl-1H-pyrrolo[2,3-b]pyridine-Show More

    Mol. Formula:
    C17H24N4O2

    M.W.:
    316.41

    Type:
    ---

    AlogP:
    2.08

    Polar Surface Area:
    90.01

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  16. ALA5204176

    Name:
    5-bromo-2-((5-(4-(3-(5-bromo-3-(cycloheptanecarboxamido)-4-methyl-2-oxopyriShow More

    Mol. Formula:
    C38H53Br2N7O4

    M.W.:
    831.69

    Type:
    ---

    AlogP:
    8.22

    Polar Surface Area:
    133.03

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  17. ALA5202843

    Name:
    (S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-butyl-1H-indole-3-carboxamidShow More

    Mol. Formula:
    C19H27N3O2

    M.W.:
    329.44

    Type:
    ---

    AlogP:
    3.07

    Polar Surface Area:
    77.12

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  18. ALA5199876

    Name:
    (S)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1-butyl-1H-indole-3-carboxamide

    Mol. Formula:
    C22H25N3O2

    M.W.:
    363.46

    Type:
    ---

    AlogP:
    3.27

    Polar Surface Area:
    77.12

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  19. ALA5199801

    Name:
    cis-1-(4-Fluorobutyl)-6-(furan-2-yl)-N-(4-methylcyclohexyl)-2-oxo-1,2-dihydShow More

    Mol. Formula:
    C24H28FN3O3

    M.W.:
    425.50

    Type:
    ---

    AlogP:
    4.71

    Polar Surface Area:
    77.13

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  20. ALA5199066

    Name:
    trans-1-(3-Fluoropropyl)-6-(furan-2-yl)-N-(4-methylcyclohexyl)-2-oxo-1,2-diShow More

    Mol. Formula:
    C23H26FN3O3

    M.W.:
    411.48

    Type:
    ---

    AlogP:
    4.32

    Polar Surface Area:
    77.13

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
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