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  1. ALA3618101

    Name:
    3-(4-Chlorophenyl)-N-((1R,2S)-1-hydroxy-1-phenylpropan-2-yl)-3-oxopropan-1-Show More

    Mol. Formula:
    C18H21Cl2NO2

    M.W.:
    354.28

    Type:
    Small molecule

    AlogP:
    3.62

    Polar Surface Area:
    49.33

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  2. ALA3618100

    Name:
    N-((1S,2R)-1-Hydroxy-1-phenylpropan-2-yl)-3-oxo-3-phenylpropan-1-amine hydrShow More

    Mol. Formula:
    C18H22ClNO2

    M.W.:
    319.83

    Type:
    Small molecule

    AlogP:
    2.97

    Polar Surface Area:
    49.33

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  3. ALA3618099

    Name:
    N-((1R,2S)-1-Hydroxy-1-phenylpropan-2-yl)-3-oxo-3-phenylpropan-1-amine hydrShow More

    Mol. Formula:
    C18H22ClNO2

    M.W.:
    319.83

    Type:
    Small molecule

    AlogP:
    2.97

    Polar Surface Area:
    49.33

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  4. ALA3618098

    Name:
    3-(4-Chlorophenyl)-N-((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)-3-oxopropan-1-Show More

    Mol. Formula:
    C18H21Cl2NO2

    M.W.:
    354.28

    Type:
    Small molecule

    AlogP:
    3.62

    Polar Surface Area:
    49.33

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  5. ALA2415055

    Name:
    N-(4-Methoxyphenyl)-2-[(4-(2-furyl)-5-cyano-6-oxo-1,6-dihydro-pyrimidin-2-yShow More

    Mol. Formula:
    C18H14N4O4S

    M.W.:
    382.40

    Type:
    Small molecule

    AlogP:
    2.64

    Polar Surface Area:
    121.01

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  6. ALA2415054

    Name:
    N-(4-Methoxyphenyl)-2-[(4-phenyl-5-cyano-6-oxo-1,6-dihydro-pyrimidin-2-yl)tShow More

    Mol. Formula:
    C20H16N4O3S

    M.W.:
    392.44

    Type:
    Small molecule

    AlogP:
    3.05

    Polar Surface Area:
    107.87

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  7. ALA2415050

    Name:
    4-N-Benzylpiperazinyl-6-phenyl-2-thioxo-1,2-dihydropyrimidine-5-carbonitrilShow More

    Mol. Formula:
    C22H21N5S

    M.W.:
    387.51

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    58.95

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  8. ALA2415048

    Name:
    6-(4-Nitrophenyl)-4-piperidinyl-2-thioxo-1,2-dihydropyrimidine-5-carbonitriShow More

    Mol. Formula:
    C16H15N5O2S

    M.W.:
    341.40

    Type:
    Small molecule

    AlogP:
    3.58

    Polar Surface Area:
    98.85

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  9. ALA2375484

    Name:
    3-(2-Chlorophenyl)-6-(3,5-difluoropyridin-2-yl)-[1,2,4]-triazolo[3,4-b][1,3Show More

    Mol. Formula:
    C14H6ClF2N5S

    M.W.:
    349.75

    Type:
    Small molecule

    AlogP:
    3.85

    Polar Surface Area:
    55.97

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  10. ALA2282549

    Name:
    4-[4-(3-phenyl-acryloyl)-phenylamino]-chromen-2-one

    Mol. Formula:
    C24H17NO3

    M.W.:
    367.40

    Type:
    Small molecule

    AlogP:
    5.43

    Polar Surface Area:
    59.31

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  11. ALA2238384

    Name:
    4-(4-(Ethylamino)-6-(1-methyl-2-oxo-1,2-dihydroquinolin-4-yloxy)-1,3,5-triaShow More

    Mol. Formula:
    C22H19N7O2

    M.W.:
    413.44

    Type:
    Small molecule

    AlogP:
    3.56

    Polar Surface Area:
    117.75

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  12. ALA2238383

    Name:
    4-(4-(Dimethylamino)-6-(1-methyl-2-oxo-1,2-dihydroquinolin-4-yloxy)-1,3,5-tShow More

    Mol. Formula:
    C22H19N7O2

    M.W.:
    413.44

    Type:
    Small molecule

    AlogP:
    3.20

    Polar Surface Area:
    108.96

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  13. ALA2238382

    Name:
    4-(4-(1-Methyl-2-oxo-1,2-dihydroquinolin-4-yloxy)-6-(methylamino)-1,3,5-triShow More

    Mol. Formula:
    C21H17N7O2

    M.W.:
    399.41

    Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    117.75

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  14. ALA2238381

    Name:
    4-(4-(2-(5-Methoxy-1H-indol-3-yl)ethylamino)-6-(1-methyl-2-oxo-1,2-dihydroqShow More

    Mol. Formula:
    C31H26N8O3

    M.W.:
    558.60

    Type:
    Small molecule

    AlogP:
    5.28

    Polar Surface Area:
    142.77

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  15. ALA2238379

    Name:
    4-(4-(Benzylamino)-6-(1-methyl-2-oxo-1,2-dihydroquinolin-4-yloxy)-1,3,5-triShow More

    Mol. Formula:
    C27H21N7O2

    M.W.:
    475.51

    Type:
    Small molecule

    AlogP:
    4.74

    Polar Surface Area:
    117.75

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  16. ALA2238378

    Name:
    4-(4-(2-Hydroxyethylamino)-6-(1-methyl-2-oxo-1,2-dihydroquinolin-4-yloxy)-1Show More

    Mol. Formula:
    C22H19N7O3

    M.W.:
    429.44

    Type:
    Small molecule

    AlogP:
    2.54

    Polar Surface Area:
    137.98

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  17. ALA2235896

    Name:
    4-[4-(4-Methyl-piperazin-1-yl)-6-(quinazolin-4-yloxy)-1,3,5-triazin-2-ylamiShow More

    Mol. Formula:
    C24H20F3N9O

    M.W.:
    507.48

    Type:
    Small molecule

    AlogP:
    3.99

    Polar Surface Area:
    115.98

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  18. ALA425153

    Name:
    {3-[2-(5-(Acetyl-hydroxy-amino)-2-{5-(acetyl-hydroxy-amino)-2-[5-(acetyl-hyShow More

    Mol. Formula:
    C35H53N9O14

    M.W.:
    823.86

    Type:
    Small molecule

    AlogP:
    -2.07

    Polar Surface Area:
    330.88

    HBA:
    14

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    24

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  19. ALA368795

    Name:
    {3-[2-(5-(Acetyl-hydroxy-amino)-2-{5-(acetyl-hydroxy-amino)-2-[5-(acetyl-hyShow More

    Mol. Formula:
    C35H53N9O15

    M.W.:
    839.86

    Type:
    Small molecule

    AlogP:
    -2.37

    Polar Surface Area:
    351.11

    HBA:
    15

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    24

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  20. ALA414835

    Name:
    (5-(Acetyl-hydroxy-amino)-2-{5-(acetyl-hydroxy-amino)-2-[5-(acetyl-hydroxy-Show More

    Mol. Formula:
    C29H45N7O12

    M.W.:
    683.72

    Type:
    Small molecule

    AlogP:
    -1.02

    Polar Surface Area:
    292.47

    HBA:
    12

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
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