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  1. ALA4514092

    Name:
    N-(4-(3-Aminophenyl)thiazol-2-yl)acetamide

    Cas Number:
    134812-30-9

    Mol. Formula:
    C11H11N3OS

    M.W.:
    233.30

    Type:
    Unknown

    AlogP:
    2.35

    Polar Surface Area:
    68.01

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  2. ALA4513729

    Name:
    Ethyl (1-(6-Amino-2-fluoro-9H-purin-9-yl)-2,2,2-tr
    Show More

    Mol. Formula:
    C10H10Cl3FN6O2

    M.W.:
    371.59

    Type:
    Unknown

    AlogP:
    2.16

    Polar Surface Area:
    107.95

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  3. ALA4482946

    Name:
    N-(3-((1H-Indol-1-yl)methyl)benzyl)-4-bromo-1H-pyr
    Show More

    Mol. Formula:
    C21H18BrN3O

    M.W.:
    408.30

    Type:
    Unknown

    AlogP:
    4.71

    Polar Surface Area:
    49.82

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  4. ALA4476033

    Name:
    2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl (2,2,2-
    Show More

    Mol. Formula:
    C14H11Cl4FN8O4

    M.W.:
    516.10

    Type:
    Unknown

    AlogP:
    3.33

    Polar Surface Area:
    142.89

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  5. ALA4475588

    Name:
    2-(Pyridin-2-yl)ethyl (2,2,2-trichloro-1-(2,6-diam
    Show More

    Mol. Formula:
    C15H15Cl3N8O2

    M.W.:
    445.70

    Type:
    Unknown

    AlogP:
    2.22

    Polar Surface Area:
    146.86

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  6. ALA4474354

    Name:
    N-(2-aminophenyl)-4-(((7-methoxy-3-methyl-4-oxo-3,
    Show More

    Mol. Formula:
    C24H22N4O3S

    M.W.:
    446.53

    Type:
    Unknown

    AlogP:
    4.07

    Polar Surface Area:
    99.24

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  7. ALA4474140

    Name:
    N-(2-aminophenyl)-4-(((4-chlorophenyl)thio)methyl)
    Show More

    Mol. Formula:
    C20H17ClN2OS

    M.W.:
    368.89

    Type:
    Unknown

    AlogP:
    5.47

    Polar Surface Area:
    55.12

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  8. ALA4538745

    Name:
    N-(2-aminophenyl)-4-(((3-(2-chlorophenyl)-7-methox
    Show More

    Mol. Formula:
    C29H23ClN4O3S

    M.W.:
    543.05

    Type:
    Unknown

    AlogP:
    6.17

    Polar Surface Area:
    99.24

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  9. ALA4537439

    Name:
    N-(2-aminophenyl)-4-(((3,6-dimethyl-4-oxo-3,4-dihy
    Show More

    Mol. Formula:
    C24H22N4O2S

    M.W.:
    430.53

    Type:
    Unknown

    AlogP:
    4.37

    Polar Surface Area:
    90.01

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  10. ALA4537025

    Name:
    N-(3-((1H-Benzo[d]imidazol-1-yl)methyl)benzyl)-2-a
    Show More

    Mol. Formula:
    C19H20N4O2

    M.W.:
    336.40

    Type:
    Unknown

    AlogP:
    1.84

    Polar Surface Area:
    76.02

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  11. ALA4536859

    Name:
    N-(3beta-Acetyloxy-11-oxo-olean-12-en-28-oyl)aceta
    Show More

    Mol. Formula:
    C48H67BF2N4O5

    M.W.:
    828.89

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA4525670

    Name:
    2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl (2,2,2-
    Show More

    Mol. Formula:
    C18H17Cl3N6O4

    M.W.:
    487.73

    Type:
    Unknown

    AlogP:
    4.18

    Polar Surface Area:
    124.21

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  13. ALA4521002

    Name:
    N-(2-amino-5-fluorophenyl)-4-(((3-ethyl-7-methoxy-
    Show More

    Mol. Formula:
    C25H23FN4O3S

    M.W.:
    478.55

    Type:
    Unknown

    AlogP:
    4.69

    Polar Surface Area:
    99.24

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  14. ALA4520724

    Name:
    2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl (1-(6-a
    Show More

    Mol. Formula:
    C14H13Cl3FN9O4

    M.W.:
    496.67

    Type:
    Unknown

    AlogP:
    2.26

    Polar Surface Area:
    168.91

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  15. ALA4535846

    Name:
    (E)-N-(2-aminophenyl)-3-(4-(((7-chloro-3-methyl-4-
    Show More

    Mol. Formula:
    C25H21ClN4O2S

    M.W.:
    476.99

    Type:
    Unknown

    AlogP:
    5.11

    Polar Surface Area:
    90.01

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  16. ALA4535022

    Name:
    N-(4-(3-((5-Methylthiophene)-2-sulfonamido)phenyl)
    Show More

    Mol. Formula:
    C16H15N3O3S3

    M.W.:
    393.52

    Type:
    Unknown

    AlogP:
    3.94

    Polar Surface Area:
    88.16

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  17. ALA4534744

    Name:
    2-(2-(5-Benzylisoxazol-3-yl)-3-(4-hydroxy-3-methox
    Show More

    Mol. Formula:
    C34H25NO9

    M.W.:
    591.57

    Type:
    Unknown

    AlogP:
    6.42

    Polar Surface Area:
    144.62

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  18. ALA4534569

    Name:
    N-(3-((1H-Benzo[d]imidazol-1-yl)methyl)benzyl)-4-a
    Show More

    Mol. Formula:
    C19H22N4O

    M.W.:
    322.41

    Type:
    Unknown

    AlogP:
    2.44

    Polar Surface Area:
    72.94

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  19. ALA4533620

    Name:
    Ustiloxin G

    Mol. Formula:
    C28H44N4O10S

    M.W.:
    628.75

    Type:
    Unknown

    AlogP:
    -0.33

    Polar Surface Area:
    229.61

    HBA:
    10

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  20. ALA4533280

    Name:
    (E)-N-(2-aminophenyl)-3-(4-(((7-chloro-4-oxo-3-pro
    Show More

    Mol. Formula:
    C27H25ClN4O2S

    M.W.:
    505.04

    Type:
    Unknown

    AlogP:
    5.99

    Polar Surface Area:
    90.01

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
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