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  1. ALA2402005

    Name:
    ethyl 6-(5-(cyclopropylcarbamoyl)-2-methylphenylcarbamoyl)-1H-indole-1-carbShow More

    Mol. Formula:
    C23H23N3O4

    M.W.:
    405.45

    Type:
    Small molecule

    AlogP:
    4.10

    Polar Surface Area:
    89.43

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  2. ALA2402004

    Name:
    N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-1-isopropyl-1H-indole-6-carboxaShow More

    Mol. Formula:
    C23H25N3O2

    M.W.:
    375.47

    Type:
    Small molecule

    AlogP:
    4.68

    Polar Surface Area:
    63.13

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  3. ALA2402003

    Name:
    N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-1-methyl-1H-indole-6-carboxamidShow More

    Mol. Formula:
    C21H21N3O2

    M.W.:
    347.42

    Type:
    Small molecule

    AlogP:
    3.63

    Polar Surface Area:
    63.13

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  4. ALA2402002

    Name:
    N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-1H-indole-6-carboxamide

    Mol. Formula:
    C20H19N3O2

    M.W.:
    333.39

    Type:
    Small molecule

    AlogP:
    3.62

    Polar Surface Area:
    73.99

    HBA:
    2

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  5. ALA2402001

    Name:
    N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-5-(6-methylpyridin-3-yl)thiopheShow More

    Mol. Formula:
    C22H21N3O2S

    M.W.:
    391.50

    Type:
    Small molecule

    AlogP:
    4.57

    Polar Surface Area:
    71.09

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  6. ALA2401999

    Name:
    N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-5-(5-fluoropyridin-3-yl)thiopheShow More

    Mol. Formula:
    C21H18FN3O2S

    M.W.:
    395.46

    Type:
    Small molecule

    AlogP:
    4.40

    Polar Surface Area:
    71.09

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  7. ALA2401998

    Name:
    N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-5-(pyridin-4-yl)thiophene-2-carShow More

    Mol. Formula:
    C21H19N3O2S

    M.W.:
    377.47

    Type:
    Small molecule

    AlogP:
    4.26

    Polar Surface Area:
    71.09

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  8. ALA2401997

    Name:
    N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-5-(pyridin-3-yl)thiophene-2-carShow More

    Mol. Formula:
    C21H19N3O2S

    M.W.:
    377.47

    Type:
    Small molecule

    AlogP:
    4.26

    Polar Surface Area:
    71.09

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  9. ALA2401993

    Name:
    N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-5-(4-(dimethylcarbamoyl)phenyl)Show More

    Mol. Formula:
    C25H25N3O3S

    M.W.:
    447.56

    Type:
    Small molecule

    AlogP:
    4.57

    Polar Surface Area:
    78.51

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  10. ALA2401992

    Name:
    N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)-5-(4-((dimethylamino)methyl)pheShow More

    Mol. Formula:
    C25H27N3O2S

    M.W.:
    433.58

    Type:
    Small molecule

    AlogP:
    4.93

    Polar Surface Area:
    61.44

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  11. ALA2401980

    Name:
    5-(4-chlorophenyl)-N-(5-(cyclopropylcarbamoyl)-2-methylphenyl)furan-2-carboShow More

    Mol. Formula:
    C22H19ClN2O3

    M.W.:
    394.86

    Type:
    Small molecule

    AlogP:
    5.05

    Polar Surface Area:
    71.34

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  12. ALA2316479

    Name:
    8-(2,4-Difluoro-phenylamino)-5-oxo-10,11-dihydro-5H-dibenzo[a,d]cycloheptenShow More

    Mol. Formula:
    C25H22F2N2O4

    M.W.:
    452.46

    Type:
    Small molecule

    AlogP:
    3.12

    Polar Surface Area:
    98.66

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  13. ALA2179119

    Name:
    4-[4-(4-Fluorophenyl)-5-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-imidazoShow More

    Mol. Formula:
    C28H19FN4O

    M.W.:
    446.49

    Type:
    Small molecule

    AlogP:
    6.80

    Polar Surface Area:
    77.59

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  14. ALA2177219

    Name:
    N-[2-Fluoro-5-(5-oxo-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-ylamino)-phenShow More

    Mol. Formula:
    C24H21FN2O2

    M.W.:
    388.44

    Type:
    Small molecule

    AlogP:
    5.73

    Polar Surface Area:
    58.20

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  15. ALA373545

    Name:
    2-(2-chlorophenyl)-6-(2-ethylphenylamino)pyridazin-3(2H)-one

    Mol. Formula:
    C18H16ClN3O

    M.W.:
    325.80

    Type:
    Small molecule

    AlogP:
    4.19

    Polar Surface Area:
    46.92

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  16. ALA413460

    Name:
    2S,3S,4R,5R-5-6-amino-9H-purin-9-yl-N-12R,15R,18R,21R,24R,27R-12,15,18,21,2Show More

    Mol. Formula:
    C69H116N34O14S

    M.W.:
    1677.98

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA279185

    Name:
    2S,3S,4R,5R-N-6R,9R,12R,15R,18R,21R-1-amino-6-carbamoyl-9,12,15,18,21-pentaShow More

    Mol. Formula:
    C52H95N31O11

    M.W.:
    1330.54

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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