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  1. ALA2311177

    Name:
    Phosphoric acid mono-[5-(4-amino-5-methyl-2-oxo-2H
    Show More

    Mol. Formula:
    C10H16N3O8P

    M.W.:
    337.23

    Type:
    Small molecule

    AlogP:
    -2.14

    Polar Surface Area:
    177.36

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  2. ALA1788170

    Name:
    1-Methyl-6-{methyl-[4-(piperazine-1-sulfonyl)-benz
    Show More

    Mol. Formula:
    C27H28N4O7S

    M.W.:
    552.61

    Type:
    Small molecule

    AlogP:
    2.64

    Polar Surface Area:
    81.75

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  3. ALA1744235

    Name:
    (2-Imino-1,5-dimethyl-1,2-dihydro-benzo[cd]indol-6
    Show More

    Mol. Formula:
    C28H30N4O7S

    M.W.:
    566.64

    Type:
    Small molecule

    AlogP:
    3.16

    Polar Surface Area:
    88.23

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  4. ALA1744234

    Name:
    Methyl-(1-methyl-2-methylimino-1,2-dihydro-benzo[c
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    Mol. Formula:
    C28H30N4O7S

    M.W.:
    566.64

    Type:
    Small molecule

    AlogP:
    3.11

    Polar Surface Area:
    74.24

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  5. ALA477151

    Name:
    2,4-Diamino-5-isopropyl-6-(3',4'-dichlorophenylsul
    Show More

    Mol. Formula:
    C15H15Cl2N5S

    M.W.:
    368.29

    Type:
    Small molecule

    AlogP:
    4.70

    Polar Surface Area:
    93.61

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  6. ALA477150

    Name:
    Diamino-5-isopropyl-6-(2'-naphthylsulfanyl)-7H-pyr
    Show More

    Mol. Formula:
    C19H19N5S

    M.W.:
    349.46

    Type:
    Small molecule

    AlogP:
    4.55

    Polar Surface Area:
    93.61

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  7. Type:
    Small molecule

    AlogP:
    1.19

    Polar Surface Area:
    178.71

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  8. ALA196235

    Name:
    2-Amino-5-(3,5-dichloro-phenylsulfanyl)-6-methyl-3
    Show More

    Mol. Formula:
    C13H10Cl2N4OS

    M.W.:
    341.22

    Type:
    Small molecule

    AlogP:
    4.01

    Polar Surface Area:
    87.82

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  9. ALA172085

    Name:
    6-{[(3-Bromo-phenyl)-prop-2-ynyl-amino]-methyl}-2-
    Show More

    Mol. Formula:
    C19H16BrN3O

    M.W.:
    382.26

    Type:
    Small molecule

    AlogP:
    4.05

    Polar Surface Area:
    49.25

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  10. ALA172033

    Name:
    6-({Ethyl-[4-(2,2,2-trifluoro-acetyl)-phenyl]-amin
    Show More

    Mol. Formula:
    C20H18F3N3O2

    M.W.:
    389.38

    Type:
    Small molecule

    AlogP:
    4.42

    Polar Surface Area:
    66.32

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  11. ALA177208

    Name:
    2-Methyl-6-{[prop-2-ynyl-(3-trifluoromethyl-phenyl
    Show More

    Mol. Formula:
    C20H16F3N3S

    M.W.:
    387.43

    Type:
    Small molecule

    AlogP:
    4.89

    Polar Surface Area:
    29.02

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  12. ALA172474

    Name:
    6-{[(4-Benzyl-phenyl)-methyl-amino]-methyl}-2-meth
    Show More

    Mol. Formula:
    C24H23N3O

    M.W.:
    369.47

    Type:
    Small molecule

    AlogP:
    4.87

    Polar Surface Area:
    49.25

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  13. ALA444870

    Name:
    4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmeth
    Show More

    Mol. Formula:
    C21H15F3N4O

    M.W.:
    396.37

    Type:
    Small molecule

    AlogP:
    4.17

    Polar Surface Area:
    73.04

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  14. ALA171180

    Name:
    2-Methyl-6-{[(4-nitro-3-trifluoromethyl-phenyl)-pr
    Show More

    Mol. Formula:
    C20H15F3N4O3

    M.W.:
    416.36

    Type:
    Small molecule

    AlogP:
    4.21

    Polar Surface Area:
    92.39

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  15. ALA353951

    Name:
    2-Chloro-4-[(2-methyl-4-oxo-3,4-dihydro-quinazolin
    Show More

    Mol. Formula:
    C20H15ClN4O

    M.W.:
    362.82

    Type:
    Small molecule

    AlogP:
    3.81

    Polar Surface Area:
    73.04

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  16. ALA170767

    Name:
    2-Methyl-6-[(prop-2-ynyl-m-tolyl-amino)-methyl]-3H
    Show More

    Mol. Formula:
    C20H19N3O

    M.W.:
    317.39

    Type:
    Small molecule

    AlogP:
    3.59

    Polar Surface Area:
    49.25

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  17. ALA174478

    Name:
    4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmeth
    Show More

    Mol. Formula:
    C20H16N4O

    M.W.:
    328.38

    Type:
    Small molecule

    AlogP:
    3.16

    Polar Surface Area:
    73.04

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  18. ALA367651

    Name:
    2-Methyl-6-{[(4-nitro-phenyl)-prop-2-ynyl-amino]-m
    Show More

    Mol. Formula:
    C19H16N4O3

    M.W.:
    348.36

    Type:
    Small molecule

    AlogP:
    3.19

    Polar Surface Area:
    92.39

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  19. ALA173683

    Name:
    4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmeth
    Show More

    Mol. Formula:
    C19H18N4O3S

    M.W.:
    382.45

    Type:
    Small molecule

    AlogP:
    1.93

    Polar Surface Area:
    109.41

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  20. ALA171641

    Name:
    2-Methyl-6-({[4-(4-methyl-piperazine-1-sulfonyl)-p
    Show More

    Mol. Formula:
    C24H27N5O3S

    M.W.:
    465.58

    Type:
    Small molecule

    AlogP:
    2.22

    Polar Surface Area:
    89.87

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
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