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  1. ALA4248974

    Name:
    1-(4-(4-Methyl-3,4-dihydroquinoxalin-1(2H)-ylsulfonyl)phenyl)pyrrolidin-2-oShow More

    Mol. Formula:
    C19H21N3O3S

    M.W.:
    371.46

    Type:
    Small molecule

    AlogP:
    2.46

    Polar Surface Area:
    60.93

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  2. ALA4246320

    Name:
    1-(4-(6-methyl-3,4-dihydroquinolin-1(2H)-ylsulfonyl)phenyl)pyrrolidin-2-one

    Mol. Formula:
    C20H22N2O3S

    M.W.:
    370.47

    Type:
    Small molecule

    AlogP:
    3.26

    Polar Surface Area:
    57.69

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  3. ALA4244338

    Name:
    1-methyl-4-(4-(pyrrolidin-1-yl)phenylsulfonyl)-1,2,3,4-tetrahydroquinoxalinShow More

    Mol. Formula:
    C19H23N3O2S

    M.W.:
    357.48

    Type:
    Small molecule

    AlogP:
    2.93

    Polar Surface Area:
    43.86

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  4. ALA4243509

    Name:
    1-(4-(2-Methyl-3,4-dihydroquinolin-1(2H)-ylsulfonyl)phenyl)pyrrolidin-2-one

    Mol. Formula:
    C20H22N2O4S

    M.W.:
    386.47

    Type:
    Small molecule

    AlogP:
    2.96

    Polar Surface Area:
    66.92

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  5. ALA4243377

    Name:
    4-(2-oxopyrrolidin-1-yl)-N-phenyl-N-propylbenzenesulfonamide

    Mol. Formula:
    C19H22N2O3S

    M.W.:
    358.46

    Type:
    Small molecule

    AlogP:
    3.42

    Polar Surface Area:
    57.69

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  6. ALA4240977

    Name:
    1-(4-(6-(Trifluoromethyl)-3,4-dihydroquinolin-1(2H)-ylsulfonyl)phenyl)pyrroShow More

    Mol. Formula:
    C23H28N2O3S

    M.W.:
    412.56

    Type:
    Small molecule

    AlogP:
    4.25

    Polar Surface Area:
    57.69

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  7. ALA4240212

    Name:
    1-(4-(3,4-Dihydroquinolin-1(2H)-ylsulfonyl)phenyl)pyrrolidin-2-one

    Mol. Formula:
    C19H20N2O3S

    M.W.:
    356.45

    Type:
    Small molecule

    AlogP:
    2.95

    Polar Surface Area:
    57.69

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  8. ALA4240141

    Name:
    1-(4-(4,5-dihydro-1H-pyrazol-1-yl)phenylsulfonyl)-4-methyl-1,2,3,4-tetrahydShow More

    Mol. Formula:
    C18H20N4O2S

    M.W.:
    356.45

    Type:
    Small molecule

    AlogP:
    2.53

    Polar Surface Area:
    56.22

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  9. ALA4238053

    Name:
    1-(4-(6-Methoxy-4-methyl-3,4-dihydroquinoxalin-1(2H)-ylsulfonyl)phenyl)pyrrShow More

    Mol. Formula:
    C20H23N3O4S

    M.W.:
    401.49

    Type:
    Small molecule

    AlogP:
    2.47

    Polar Surface Area:
    70.16

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  10. ALA2436173

    Name:
    (R)-9-acetyl-6-(2-(1-methylpyrrolidin-2-yl)ethyl)-1,2-dihydrocyclopenta[c]cShow More

    Mol. Formula:
    C24H26N2O2

    M.W.:
    374.48

    Type:
    Small molecule

    AlogP:
    4.61

    Polar Surface Area:
    42.31

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  11. ALA2059435

    Name:
    2-((3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-((2S,3S)-2-hydroxypenShow More

    Mol. Formula:
    C25H29Cl2NO4

    M.W.:
    478.42

    Type:
    Small molecule

    AlogP:
    5.69

    Polar Surface Area:
    77.84

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  12. ALA2059300

    Name:
    2-((3R,5R,6S)-1-((S)-1-tert-butoxy-1-oxobutan-2-yl)-5-(3-chlorophenyl)-6-(4Show More

    Mol. Formula:
    C28H33Cl2NO5

    M.W.:
    534.48

    Type:
    Small molecule

    AlogP:
    6.65

    Polar Surface Area:
    83.91

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  13. ALA583413

    Name:
    6,7-bis(4-bromophenyl)-2,12-dimethyl-7,12-dihydro-6H-chromeno[4,3-d][1,2,4]Show More

    Mol. Formula:
    C26H20Br2N4O

    M.W.:
    564.28

    Type:
    Small molecule

    AlogP:
    6.70

    Polar Surface Area:
    43.18

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  14. Nutlin-3a

    Name:
    4-[(4S,5R)-4,5-Bis-(4-chloro-phenyl)-2-(2-isopropoxy-4-methoxy-phenyl)-4,5-Show More

    Mol. Formula:
    C30H30Cl2N4O4

    M.W.:
    581.50

    Type:
    Small molecule

    AlogP:
    5.89

    Polar Surface Area:
    83.47

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
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