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  1. ALA4476602

    Name:
    rac-4-(5-(4-Chlorophenyl)-3-(2-oxo-4-phenyl-1,2-di
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    Mol. Formula:
    C28H22ClN3O4

    M.W.:
    499.95

    Type:
    Unknown

    AlogP:
    5.39

    Polar Surface Area:
    102.83

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  2. ALA4475564

    Name:
    rac-4-(5-(4-Bromophenyl)-3-(2-oxo-4-phenyl-1,2-dih
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    Mol. Formula:
    C28H22BrN3O4

    M.W.:
    544.41

    Type:
    Unknown

    AlogP:
    5.50

    Polar Surface Area:
    102.83

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  3. ALA4540385

    Name:
    N-cyclobutyl-2-(5-((2-oxobenzo[d]thiazol-3(2H)-yl)
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    Mol. Formula:
    C25H27N5O2S2

    M.W.:
    493.66

    Type:
    Unknown

    AlogP:
    4.10

    Polar Surface Area:
    81.81

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  4. ALA4539607

    Name:
    N-cyclopentyl-2-((5-((5-fluoro-2-oxobenzo[d]thiazo
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    Mol. Formula:
    C25H26FN5O2S2

    M.W.:
    511.65

    Type:
    Unknown

    AlogP:
    4.24

    Polar Surface Area:
    81.81

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  5. ALA4538580

    Name:
    rac-Methyl 4-(3-(6-Chloro-2-oxo-4-phenyl-1,2-dihyd
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    Mol. Formula:
    C29H23ClFN3O4

    M.W.:
    531.97

    Type:
    Unknown

    AlogP:
    5.62

    Polar Surface Area:
    91.83

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  6. ALA4538360

    Name:
    2-(5-(3-cyano-6-methyl-1,6-dihydropyridin-2-yloxy)
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    Mol. Formula:
    C25H30N6O2S

    M.W.:
    478.62

    Type:
    Unknown

    AlogP:
    3.72

    Polar Surface Area:
    104.86

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  7. ALA4537873

    Name:
    N-cyclopentyl-2-((4-(3-fluorophenethyl)-5-((2-oxob
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    Mol. Formula:
    C25H26FN5O2S2

    M.W.:
    511.65

    Type:
    Unknown

    AlogP:
    4.24

    Polar Surface Area:
    81.81

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  8. ALA4525192

    Name:
    2-((5-(3-(aminomethyl)phenyl)-4-phenethyl-4H-1,2,4
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    Mol. Formula:
    C24H30ClN5OS

    M.W.:
    472.06

    Type:
    Unknown

    AlogP:
    3.80

    Polar Surface Area:
    85.83

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  9. ALA4524378

    Name:
    rac-4-(3-(6-Chloro-2-oxo-4-phenyl-1,2-dihydroquino
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    Mol. Formula:
    C35H32ClN5O4

    M.W.:
    622.12

    Type:
    Unknown

    AlogP:
    7.25

    Polar Surface Area:
    120.65

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  10. ALA4524289

    Name:
    2-((5-((3-cyano-6-methyl-2-oxopyridin-1(2H)-yl)met
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    Mol. Formula:
    C26H30N6O2S

    M.W.:
    490.63

    Type:
    Unknown

    AlogP:
    3.45

    Polar Surface Area:
    105.60

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  11. ALA4523053

    Name:
    rac-3-(1-Acetyl-5-(4-bromophenyl)-4,5-dihydro-1H-p
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    Mol. Formula:
    C26H19BrClN3O2

    M.W.:
    520.81

    Type:
    Unknown

    AlogP:
    6.31

    Polar Surface Area:
    65.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  12. ALA4522859

    Name:
    1-(2-((2-aminoethyl)(methyl)amino)-4-methylquinoli
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    Mol. Formula:
    C23H37N7S

    M.W.:
    443.67

    Type:
    Unknown

    AlogP:
    2.25

    Polar Surface Area:
    72.69

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  13. ALA4520998

    Name:
    3-((5-mercapto-4-phenethyl-4H-1,2,4-triazol-3-yl)m
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    Cas Number:
    390748-36-4

    Mol. Formula:
    C18H16N4OS2

    M.W.:
    368.49

    Type:
    Unknown

    AlogP:
    3.23

    Polar Surface Area:
    52.71

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  14. ALA4520417

    Name:
    2-(5-((3-amino-2-oxopyridin-1(2H)-yl)methyl)-4-(3-
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    Mol. Formula:
    C24H31ClN6O2S

    M.W.:
    503.07

    Type:
    Unknown

    AlogP:
    2.85

    Polar Surface Area:
    107.83

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  15. ALA4535304

    Name:
    rac-3-(1-Acetyl-5-(1-methyl-1H-indol-5-yl)-4,5-dih
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    Mol. Formula:
    C29H23ClN4O2

    M.W.:
    494.98

    Type:
    Unknown

    AlogP:
    6.04

    Polar Surface Area:
    70.46

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  16. ALA4534777

    Name:
    N-(1-methylpiperidin-4-yl)-2-((5-((2-oxobenzo[d]th
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    Mol. Formula:
    C27H32N6O2S2

    M.W.:
    536.73

    Type:
    Unknown

    AlogP:
    3.64

    Polar Surface Area:
    85.05

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  17. ALA4533313

    Name:
    rac-3-(1-Acetyl-5-(4'-methoxy-[1,1'-biphenyl]-4-yl
    Show More

    Mol. Formula:
    C33H26ClN3O3

    M.W.:
    548.04

    Type:
    Unknown

    AlogP:
    7.22

    Polar Surface Area:
    74.76

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  18. ALA4533128

    Name:
    N-cyclohexyl-2-((5-((2-oxobenzo[d]thiazol-3(2H)-yl
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    Mol. Formula:
    C26H29N5O2S2

    M.W.:
    507.69

    Type:
    Unknown

    AlogP:
    4.49

    Polar Surface Area:
    81.81

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  19. ALA4532949

    Name:
    N-cyclopentyl-2-((4-(2-fluorophenethyl)-5-((2-oxob
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    Mol. Formula:
    C25H26FN5O2S2

    M.W.:
    511.65

    Type:
    Unknown

    AlogP:
    4.24

    Polar Surface Area:
    81.81

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  20. ALA4561403

    Name:
    N-cyclopentyl-2-((5-((5-methoxy-2-oxobenzo[d]thiaz
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    Mol. Formula:
    C26H29N5O3S2

    M.W.:
    523.68

    Type:
    Unknown

    AlogP:
    4.11

    Polar Surface Area:
    91.04

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
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