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  1. ALA5268378

    Name:
    1-(6-(benzylamino)pyrimidin-4-yl)-N-(4-fluorophenyl)-1H-pyrazole-4-carboxamShow More

    Mol. Formula:
    C21H17FN6O

    M.W.:
    388.41

    Type:
    ---

    AlogP:
    3.67

    Polar Surface Area:
    84.73

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  2. ALA5268358

    Name:
    (1-(6-(benzylamino)pyrimidin-4-yl)-1H-pyrazol-4-yl)(4-methylpiperazin-1-yl)Show More

    Mol. Formula:
    C20H23N7O

    M.W.:
    377.45

    Type:
    ---

    AlogP:
    1.66

    Polar Surface Area:
    79.18

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  3. ALA5282508

    Name:
    2-((1-ethyl-7-nitro-4-((pyridin-2-ylmethyl)amino)-1H-imidazo[4,5-c]pyridin-Show More

    Mol. Formula:
    C18H23N7O3

    M.W.:
    385.43

    Type:
    ---

    AlogP:
    2.55

    Polar Surface Area:
    131.03

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  4. ALA5275667

    Name:
    4-(4-chlorophenyl)-N-phenethyl-2-(phenethylamino)pyrazolo[1,5-a][1,3,5]triaShow More

    Mol. Formula:
    C28H25ClN6O

    M.W.:
    497.00

    Type:
    ---

    AlogP:
    5.07

    Polar Surface Area:
    84.21

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  5. ALA5273636

    Name:
    Ethyl 2-(benzylamino)-4-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazine-8-caShow More

    Mol. Formula:
    C21H18ClN5O2

    M.W.:
    407.86

    Type:
    ---

    AlogP:
    4.23

    Polar Surface Area:
    81.41

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  6. ALA5284684

    Name:
    4-(((4-hydroxyphenyl)amino)methylene)-5-(phenylamino)-2,4-dihydro-3H-pyrazoShow More

    Mol. Formula:
    C16H14N4O2

    M.W.:
    294.31

    Type:
    ---

    AlogP:
    2.24

    Polar Surface Area:
    85.75

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  7. ALA5291206

    Name:
    N-(4,6-dimethylpyrimidin-2-yl)-4-(((5-oxo-3-(phenylamino)-1,5-dihydro-4H-pyShow More

    Mol. Formula:
    C22H21N7O3S

    M.W.:
    463.52

    Type:
    ---

    AlogP:
    2.75

    Polar Surface Area:
    137.47

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  8. ALA5290674

    Name:
    1-(6-(benzylamino)pyrimidin-4-yl)-N-(4-methoxyphenyl)-1H-pyrazole-4-carboxaShow More

    Mol. Formula:
    C22H20N6O2

    M.W.:
    400.44

    Type:
    ---

    AlogP:
    3.54

    Polar Surface Area:
    93.96

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  9. ALA5277621

    Name:
    (1-(6-(benzylamino)pyrimidin-4-yl)-1H-pyrazol-4-yl)(morpholino)methanone

    Mol. Formula:
    C19H20N6O2

    M.W.:
    364.41

    Type:
    ---

    AlogP:
    1.75

    Polar Surface Area:
    85.17

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  10. ALA5267544

    Name:
    1-(6-(benzylamino)pyrimidin-4-yl)-N-(4-hydroxyphenyl)-1H-pyrazole-4-carboxaShow More

    Mol. Formula:
    C21H18N6O2

    M.W.:
    386.42

    Type:
    ---

    AlogP:
    3.23

    Polar Surface Area:
    104.96

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  11. ALA5204439

    Name:
    (2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S,47S,50S,53S,56S,5Show More

    Mol. Formula:
    C122H205N31O30S

    M.W.:
    2618.24

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA5194837

    Name:
    (3Z)-1-ethyl-3-(3-oxoindolin-2-ylidene)pyrrolo[2,3-b]pyridin-2-one

    Mol. Formula:
    C17H13N3O2

    M.W.:
    291.31

    Type:
    ---

    AlogP:
    2.47

    Polar Surface Area:
    62.30

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  13. ALA5192599

    Name:
    (3Z)-1-isopropyl-3-(3-oxoindolin-2-ylidene)pyrrolo[2,3-b]pyridin-2-one

    Mol. Formula:
    C18H15N3O2

    M.W.:
    305.34

    Type:
    ---

    AlogP:
    2.86

    Polar Surface Area:
    62.30

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  14. ALA5190402

    Name:
    N1,N1'-(naphtho[2,3-a]acridine-2,10-diylbis(methylene))bis(N3,N3-dimethylprShow More

    Mol. Formula:
    C33H41N5

    M.W.:
    507.73

    Type:
    ---

    AlogP:
    5.78

    Polar Surface Area:
    43.43

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  15. ALA5174335

    Name:
    (2R,3R)-N-[(1R)-1-[[(1R)-2-[[(1R)-2-amino-1-benzyl-2-oxo-ethyl]amino]-1-[(4Show More

    Mol. Formula:
    C46H63N11O7S

    M.W.:
    914.15

    Type:
    ---

    AlogP:
    1.20

    Polar Surface Area:
    312.53

    HBA:
    10

    HBD:
    12

    #RO5 Violations:
    2

    #Rotatable Bonds:
    26

    Passes Ro3:
    N

    QED Weighted:
    0.02

    DETAILS
  16. ALA4878477

    Name:
    6-[(E)-[(2Z)-2-(2-oxoindolin-3-ylidene)indolin-3-ylidene]amino]oxyhexanehydShow More

    Mol. Formula:
    C22H22N4O4

    M.W.:
    406.44

    Type:
    Unknown

    AlogP:
    3.26

    Polar Surface Area:
    112.05

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  17. ALA4878162

    Name:
    7-[(E)-[(2Z)-2-(2-oxoindolin-3-ylidene)indolin-3-ylidene]amino]oxyheptanehyShow More

    Mol. Formula:
    C23H24N4O4

    M.W.:
    420.47

    Type:
    Unknown

    AlogP:
    3.65

    Polar Surface Area:
    112.05

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  18. ALA4877598

    Name:
    4-[(E)-[(2Z)-2-(2-oxo-1-prop-2-ynyl-indolin-3-ylidene)indolin-3-ylidene]amiShow More

    Mol. Formula:
    C23H20N4O4

    M.W.:
    416.44

    Type:
    Unknown

    AlogP:
    2.51

    Polar Surface Area:
    103.26

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  19. ALA4877132

    Name:
    7-[(E)-[(2Z)-5-bromo-2-(2-oxoindolin-3-ylidene)indolin-3-ylidene]amino]oxyhShow More

    Mol. Formula:
    C23H23BrN4O4

    M.W.:
    499.37

    Type:
    Unknown

    AlogP:
    4.41

    Polar Surface Area:
    112.05

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  20. ALA4876561

    Name:
    7-[(E)-[(2Z)-2-(5-methyl-2-oxo-indolin-3-ylidene)indolin-3-ylidene]amino]oxShow More

    Mol. Formula:
    C24H26N4O4

    M.W.:
    434.50

    Type:
    Unknown

    AlogP:
    3.96

    Polar Surface Area:
    112.05

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
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