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  1. ALA4879145

    Name:
    N6-benzyl-9-methyl-N2-phenyl-9H-purine-2,6-diamine

    Mol. Formula:
    C19H18N6

    M.W.:
    330.40

    Type:
    Unknown

    AlogP:
    3.72

    Polar Surface Area:
    67.66

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  2. ALA4878675

    Name:
    N-((S)-1-((S,E)-1-(benzylsulfonyl)-1-fluoro-5-phen
    Show More

    Mol. Formula:
    C35H33F3N2O4S

    M.W.:
    634.72

    Type:
    Unknown

    AlogP:
    6.16

    Polar Surface Area:
    92.34

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  3. ALA4878537

    Name:
    N-((S)-1-((S,E)-1-(benzylsulfonyl)-1-fluoro-5-phen
    Show More

    Mol. Formula:
    C37H37FN2O6S

    M.W.:
    656.78

    Type:
    Unknown

    AlogP:
    5.65

    Polar Surface Area:
    110.80

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  4. ALA4877627

    Name:
    (S,E)-phenyl 3-((S)-2-(3,5-difluorobenzamido)-3-m-
    Show More

    Mol. Formula:
    C34H31F3N2O5S

    M.W.:
    636.69

    Type:
    Unknown

    AlogP:
    5.95

    Polar Surface Area:
    101.57

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  5. ALA4874291

    Name:
    (S,E)-phenyl 3-((S)-2-(2,3-dihydrobenzo[b][1,4]dio
    Show More

    Mol. Formula:
    C36H35FN2O7S

    M.W.:
    658.75

    Type:
    Unknown

    AlogP:
    5.44

    Polar Surface Area:
    120.03

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  6. ALA4873498

    Name:
    N-((S)-1-((S,E)-1-fluoro-5-(methylthio)-1-(phenyls
    Show More

    Mol. Formula:
    C27H28FN3O4S2

    M.W.:
    541.67

    Type:
    Unknown

    AlogP:
    3.95

    Polar Surface Area:
    105.23

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  7. ALA4872080

    Name:
    N-((S)-1-((S,E)-1-fluoro-5-phenyl-1-(phenylsulfony
    Show More

    Mol. Formula:
    C33H32FN3O4S

    M.W.:
    585.70

    Type:
    Unknown

    AlogP:
    5.13

    Polar Surface Area:
    105.23

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  8. ALA4871967

    Name:
    N-((S)-1-((S,E)-1-(benzylsulfonyl)-1-fluoro-5-phen
    Show More

    Mol. Formula:
    C36H35FN2O6S

    M.W.:
    642.75

    Type:
    Unknown

    AlogP:
    5.34

    Polar Surface Area:
    110.80

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  9. ALA4871105

    Name:
    (S)-phenyl 3-((S)-2-(isonicotinamido)-3-(p-tolyl)p
    Show More

    Mol. Formula:
    C33H33N3O5S

    M.W.:
    583.71

    Type:
    Unknown

    AlogP:
    4.77

    Polar Surface Area:
    114.46

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  10. ALA4868480

    Name:
    N-((S)-1-((S,E)-1-(benzylsulfonyl)-1-fluoro-5-phen
    Show More

    Mol. Formula:
    C37H37FN2O6S

    M.W.:
    656.78

    Type:
    Unknown

    AlogP:
    5.65

    Polar Surface Area:
    110.80

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  11. ALA4867921

    Name:
    N6-benzyl-N2-(4-chlorophenyl)-9-methyl-9H-purine-2
    Show More

    Mol. Formula:
    C19H17ClN6

    M.W.:
    364.84

    Type:
    Unknown

    AlogP:
    4.37

    Polar Surface Area:
    67.66

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  12. ALA4867683

    Name:
    3,5-difluoro-N-((S)-1-((S,E)-1-fluoro-5-phenyl-1-(
    Show More

    Mol. Formula:
    C34H31F3N2O4S

    M.W.:
    620.69

    Type:
    Unknown

    AlogP:
    6.02

    Polar Surface Area:
    92.34

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  13. ALA4867663

    Name:
    3,5-difluoro-N-((S)-1-((S,E)-1-fluoro-5-phenyl-1-(
    Show More

    Mol. Formula:
    C33H29F3N2O4S

    M.W.:
    606.67

    Type:
    Unknown

    AlogP:
    5.71

    Polar Surface Area:
    92.34

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  14. ALA4867613

    Name:
    N-((S)-1-((S,E)-1-(benzylsulfonyl)-1-fluoro-5-phen
    Show More

    Mol. Formula:
    C35H33F3N2O4S

    M.W.:
    634.72

    Type:
    Unknown

    AlogP:
    6.16

    Polar Surface Area:
    92.34

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  15. ALA4866378

    Name:
    N-((S)-1-((S,E)-1-(benzylsulfonyl)-1-fluoro-5-phen
    Show More

    Mol. Formula:
    C34H34FN3O4S

    M.W.:
    599.73

    Type:
    Unknown

    AlogP:
    5.27

    Polar Surface Area:
    105.23

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  16. ALA4865195

    Name:
    (2S)-2-[[(2S)-2-[(3-cyano-1,4-dioxo-2-naphthyl)ami
    Show More

    Mol. Formula:
    C26H25N3O5

    M.W.:
    459.50

    Type:
    Unknown

    AlogP:
    2.66

    Polar Surface Area:
    136.36

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  17. ALA4864383

    Name:
    (S,E)-phenyl 1-fluoro-3-((S)-2-(isonicotinamido)-3
    Show More

    Mol. Formula:
    C33H32FN3O5S

    M.W.:
    601.70

    Type:
    Unknown

    AlogP:
    5.07

    Polar Surface Area:
    114.46

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  18. ALA4863808

    Name:
    (S,E)-phenyl 3-((S)-2-(3,5-difluorobenzamido)-3-p-
    Show More

    Mol. Formula:
    C34H31F3N2O5S

    M.W.:
    636.69

    Type:
    Unknown

    AlogP:
    5.95

    Polar Surface Area:
    101.57

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  19. ALA4863200

    Name:
    (S)-phenyl 1-fluoro-5-phenyl-3-((S)-3-phenyl-2-(pi
    Show More

    Mol. Formula:
    C31H35FN4O5S

    M.W.:
    594.71

    Type:
    Unknown

    AlogP:
    3.55

    Polar Surface Area:
    116.84

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  20. ALA4858582

    Name:
    (S,E)-phenyl 1-fluoro-3-((S)-2-(4-methylpiperazine
    Show More

    Mol. Formula:
    C32H37FN4O5S

    M.W.:
    608.74

    Type:
    Unknown

    AlogP:
    3.89

    Polar Surface Area:
    108.05

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
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