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  1. ALA5280420

    Name:
    (E)-methyl 2-(butoxycarbonylamino)-3-(3-(4-(N'-(2,2,2-trifluoroacetoxy)carbShow More

    Mol. Formula:
    C23H26F3N5O9

    M.W.:
    573.48

    Type:
    ---

    AlogP:
    1.78

    Polar Surface Area:
    193.67

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  2. ALA5285684

    Name:
    1-[(7S,8R)-7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiaShow More

    Mol. Formula:
    C16H19N3O4

    M.W.:
    317.35

    Type:
    ---

    AlogP:
    1.81

    Polar Surface Area:
    88.69

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  3. Iptacopan hydrochloride

    Name:
    4-((2S,4S)-(4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-Show More

    Mol. Formula:
    C25H31ClN2O4

    M.W.:
    458.99

    Type:
    Unknown

    AlogP:
    4.93

    Polar Surface Area:
    74.79

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  4. ALA4561901

    Name:
    N-(3-((3S,4aS,5R,7aS)-2-amino-3-cyano-3,5-dimethyl-3,4,4a,5,7,7a-hexahydrofShow More

    Mol. Formula:
    C23H21FN6O2

    M.W.:
    432.46

    Type:
    Unknown

    AlogP:
    2.87

    Polar Surface Area:
    137.18

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  5. ALA4242594

    Name:
    N2-(2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl)-6-methyl-N8-neopentyShow More

    Mol. Formula:
    C24H32Cl2N8O

    M.W.:
    519.48

    Type:
    Small molecule

    AlogP:
    4.73

    Polar Surface Area:
    102.67

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  6. ALA4207531

    Name:
    2-(3-(4-amino-6-(1-methyl-1H-pyrazol-4-ylamino)-1,3,5-triazin-2-yl)-2-(hydrShow More

    Mol. Formula:
    C26H25FN8O6S

    M.W.:
    596.60

    Type:
    Small molecule

    AlogP:
    3.41

    Polar Surface Area:
    136.77

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  7. ALA4205901

    Name:
    5-amino-3,4-dimethyl-N-(4-(trifluoromethylsulfonyl)benzyl)thieno[2,3-c]pyriShow More

    Mol. Formula:
    C17H16ClF3N4O3S2

    M.W.:
    480.92

    Type:
    Small molecule

    AlogP:
    3.11

    Polar Surface Area:
    115.04

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  8. ALA4167017

    Name:
    (5(3)S,2R,7S,10S,E)-10-Isopropyl-2,7-dimethyl-5(1),5(2),5(3),5(4),5(5),5(6)Show More

    Mol. Formula:
    C28H35N5O5

    M.W.:
    521.62

    Type:
    Small molecule

    AlogP:
    2.40

    Polar Surface Area:
    129.73

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  9. ALA4103004

    Name:
    (R)-8-(2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)ethyl)-2-(Show More

    Mol. Formula:
    C24H28N4O5

    M.W.:
    452.51

    Type:
    Small molecule

    AlogP:
    2.02

    Polar Surface Area:
    105.09

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  10. ALA4098878

    Name:
    2-(3-Fluorophenyl)-4-[(3S)-piperidin-3-ylamino]thieno[3,2-c]pyridine-7-carbShow More

    Mol. Formula:
    C19H19FN4OS

    M.W.:
    370.45

    Type:
    Small molecule

    AlogP:
    3.37

    Polar Surface Area:
    80.04

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  11. GNE-781

    Name:
    3-[7-(Difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-ylShow More

    Mol. Formula:
    C27H33F2N7O2

    M.W.:
    525.60

    Type:
    Small molecule

    AlogP:
    4.35

    Polar Surface Area:
    80.45

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  12. HSK3486

    Name:
    (R)-2-(1-cyclopropylethyl)-6-isopropylphenol

    Mol. Formula:
    C14H20O

    M.W.:
    204.31

    Type:
    Small molecule

    AlogP:
    4.03

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  13. ALA4092741

    Name:
    4-((6-(3-cyclopentylureido)-1H-indazol-1-yl)methyl)-3-methoxy-N-(phenylsulfShow More

    Mol. Formula:
    C28H29N5O5S

    M.W.:
    547.64

    Type:
    Small molecule

    AlogP:
    4.28

    Polar Surface Area:
    131.42

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  14. ALA4079329

    Name:
    Isopropyl (2S)-2-[[[(8R,9S,13S,14S,17S)-17-Hydroxyl-13-methyl-6,7,8,9,11,12Show More

    Mol. Formula:
    C26H40NO6P

    M.W.:
    493.58

    Type:
    Small molecule

    AlogP:
    5.01

    Polar Surface Area:
    94.09

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  15. GNE-049

    Name:
    1-(3-(7-(Difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1Show More

    Mol. Formula:
    C27H32F2N6O2

    M.W.:
    510.59

    Type:
    Small molecule

    AlogP:
    4.56

    Polar Surface Area:
    68.42

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  16. ALA4075319

    Name:
    (R)-8-(2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)ethyl)-2-(Show More

    Mol. Formula:
    C22H26N4O5S

    M.W.:
    458.54

    Type:
    Small molecule

    AlogP:
    2.08

    Polar Surface Area:
    105.09

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  17. ALA4074410

    Name:
    3-(4-(6-(5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)-1H-benzo[d]imidazol-2-ylShow More

    Mol. Formula:
    C29H28N4O4

    M.W.:
    496.57

    Type:
    Small molecule

    AlogP:
    6.23

    Polar Surface Area:
    114.13

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  18. ALA4073345

    Name:
    Benzyl (2S)-2-[[[[(4R,4aS,7aR,12bS)-3-Allyl-4a-hydroxy-7-oxo-2,3,4,4a,5,6,7Show More

    Mol. Formula:
    C31H37N2O8P

    M.W.:
    596.62

    Type:
    Small molecule

    AlogP:
    3.49

    Polar Surface Area:
    123.63

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  19. ALA4069245

    Name:
    (R)-8-(2-hydroxy-2-(4-methyl-1-oxo-1,3-dihydroisobenzofuran-5-yl)ethyl)-2-(Show More

    Mol. Formula:
    C24H28N4O5

    M.W.:
    452.51

    Type:
    Small molecule

    AlogP:
    1.31

    Polar Surface Area:
    104.97

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  20. ALA4068506

    Name:
    Isopropyl (S)-2-[[[[(S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahyShow More

    Mol. Formula:
    C30H36N3O9P

    M.W.:
    613.60

    Type:
    Small molecule

    AlogP:
    3.75

    Polar Surface Area:
    155.28

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
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