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  1. ALA4514735

    Name:
    NA

    Mol. Formula:
    C39H48N2O7

    M.W.:
    656.82

    Type:
    Unknown

    AlogP:
    6.49

    Polar Surface Area:
    113.79

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  2. ALA4513309

    Name:
    2-(((3,5-Dimethylisoxazol-4-yl)methyl)thio)-1-(4-(
    Show More

    Mol. Formula:
    C18H22FN3O2S

    M.W.:
    363.46

    Type:
    Unknown

    AlogP:
    3.01

    Polar Surface Area:
    49.58

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  3. ALA4539953

    Name:
    (S)-N-(3-chloro-4-cyanophenyl)-3-(5-fluoro-6-pheny
    Show More

    Mol. Formula:
    C25H21ClFN3O2

    M.W.:
    449.91

    Type:
    Unknown

    AlogP:
    4.77

    Polar Surface Area:
    76.36

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  4. ALA4539707

    Name:
    6beta-imidazol-1yl-3,5-cycloandrostan-17-benzimida
    Show More

    Mol. Formula:
    C29H34N4

    M.W.:
    438.62

    Type:
    Unknown

    AlogP:
    6.58

    Polar Surface Area:
    35.64

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  5. ALA4521939

    Name:
    3beta-(methoxy)-17-(1H-benzimidazol-1-yl)androsta-
    Show More

    Mol. Formula:
    C27H34N2O

    M.W.:
    402.58

    Type:
    Unknown

    AlogP:
    6.46

    Polar Surface Area:
    27.05

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  6. ALA4521365

    Name:
    (S)-N-(3-chloro-4-cyanophenyl)-3-(5,6-difluoroindo
    Show More

    Mol. Formula:
    C19H16ClF2N3O2

    M.W.:
    391.81

    Type:
    Unknown

    AlogP:
    3.24

    Polar Surface Area:
    76.36

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  7. ALA4520316

    Name:
    Androsta-3,5,16-triene-17-benzimidazol-1-yl

    Mol. Formula:
    C26H30N2

    M.W.:
    370.54

    Type:
    Unknown

    AlogP:
    6.62

    Polar Surface Area:
    17.82

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  8. ALA4532487

    Name:
    3beta-(1H-imidazole-1-thiocarboxylate)-17-(1H-benz
    Show More

    Mol. Formula:
    C30H34N4OS

    M.W.:
    498.70

    Type:
    Unknown

    AlogP:
    6.86

    Polar Surface Area:
    44.87

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  9. ALA4561103

    Name:
    2-(((3,5-Dimethylisoxazol-4-yl)methyl)thio)-1-(4-(
    Show More

    Mol. Formula:
    C20H27N3O2S

    M.W.:
    373.52

    Type:
    Unknown

    AlogP:
    3.57

    Polar Surface Area:
    49.58

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  10. ALA4556937

    Name:
    cis-((1SR,2RS)-2-Phenylcyclopropyl)(4-(o-tolyl)pip
    Show More

    Mol. Formula:
    C21H24N2O

    M.W.:
    320.44

    Type:
    Unknown

    AlogP:
    3.45

    Polar Surface Area:
    23.55

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  11. ALA4556818

    Name:
    2-(4-(2-(((3,5-Dimethylisoxazol-4-yl)methyl)thio)a
    Show More

    Mol. Formula:
    C19H22N4O2S

    M.W.:
    370.48

    Type:
    Unknown

    AlogP:
    2.75

    Polar Surface Area:
    73.37

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  12. ALA4553882

    Name:
    (4-(5-Chloro-2-methylphenyl)piperazin-1-yl)((1S,2R
    Show More

    Mol. Formula:
    C21H22ClFN2O

    M.W.:
    372.87

    Type:
    Unknown

    AlogP:
    4.24

    Polar Surface Area:
    23.55

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  13. ALA4552506

    Name:
    Estra-1,3,5-(10),16-tetraen-17-(1H-benzimidazol-1-
    Show More

    Mol. Formula:
    C25H26N2O

    M.W.:
    370.50

    Type:
    Unknown

    AlogP:
    5.75

    Polar Surface Area:
    38.05

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  14. ALA4530573

    Name:
    (S)-3-(5-chloro-6-fluoroindolin-1-yl)-N-(4-cyano-3
    Show More

    Mol. Formula:
    C20H16ClF4N3O2

    M.W.:
    441.81

    Type:
    Unknown

    AlogP:
    4.12

    Polar Surface Area:
    76.36

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  15. ALA4528465

    Name:
    Estra-l,3,5-(10),16-tetraen-17-(1H-benzimidazol-1-
    Show More

    Mol. Formula:
    C27H28N2O2

    M.W.:
    412.53

    Type:
    Unknown

    AlogP:
    5.83

    Polar Surface Area:
    44.12

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  16. ALA4528089

    Name:
    2,3-dihydro-1H,1'H-2,3'-biindole

    Cas Number:
    6637-10-1

    Mol. Formula:
    C16H14N2

    M.W.:
    234.30

    Type:
    Unknown

    AlogP:
    3.88

    Polar Surface Area:
    27.82

    HBA:
    1

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  17. ALA4527241

    Name:
    (S)-N-(3-chloro-4-cyanophenyl)-3-(4-fluoroindolin-
    Show More

    Mol. Formula:
    C19H17ClFN3O2

    M.W.:
    373.81

    Type:
    Unknown

    AlogP:
    3.10

    Polar Surface Area:
    76.36

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  18. ALA4527176

    Name:
    (S)-N-(3-chloro-4-cyanophenyl)-3-(6-fluoroindolin-
    Show More

    Mol. Formula:
    C19H17ClFN3O2

    M.W.:
    373.81

    Type:
    Unknown

    AlogP:
    3.10

    Polar Surface Area:
    76.36

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  19. ALA4526613

    Name:
    N-((((3,5-Dimethylisoxazol-4-yl)methyl)thio)methyl
    Show More

    Mol. Formula:
    C19H26N4O2S

    M.W.:
    374.51

    Type:
    Unknown

    AlogP:
    3.32

    Polar Surface Area:
    61.61

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  20. ALA4518104

    Name:
    (E)-3-Phenyl-1-(4-(o-tolyl)piperazin-1-yl)prop-2-e
    Show More

    Mol. Formula:
    C20H22N2O

    M.W.:
    306.41

    Type:
    Unknown

    AlogP:
    3.36

    Polar Surface Area:
    23.55

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
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