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  1. ALA5203638

    Name:
    (S)-N5-(2-((S)-1,6-diamino-1-oxohexan-2-ylamino)-2-oxoethyl)-2-(3-((2R,6S)-Show More

    Mol. Formula:
    C33H54FN7O5S

    M.W.:
    679.90

    Type:
    ---

    AlogP:
    1.70

    Polar Surface Area:
    188.75

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    22

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  2. ALA5200679

    Name:
    (S)-3-(3',5'-dichloro-4'-methoxybiphenyl-3-yl)-2-(5-(5-methylfuran-2-yl)-1HShow More

    Mol. Formula:
    C25H21Cl2N3O5

    M.W.:
    514.37

    Type:
    ---

    AlogP:
    5.39

    Polar Surface Area:
    117.45

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  3. ALA5199784

    Name:
    (S)-2-(4-((1-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-1H-benzo[d]imidazole-6-caShow More

    Mol. Formula:
    C35H32N10O6

    M.W.:
    688.70

    Type:
    ---

    AlogP:
    3.06

    Polar Surface Area:
    233.13

    HBA:
    13

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  4. ALA5198097

    Name:
    (2S)-methyl 3-(4'-chloro-2'-(trifluoromethyl)biphenyl-4-yl)-2-(2-(6-methyl-Show More

    Mol. Formula:
    C28H24ClF3N2O4

    M.W.:
    544.96

    Type:
    ---

    AlogP:
    5.66

    Polar Surface Area:
    84.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  5. ALA5190490

    Name:
    (R)-2-(4-((1-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-1H-benzo[d]imidazole-6-caShow More

    Mol. Formula:
    C36H32N8O7

    M.W.:
    688.70

    Type:
    ---

    AlogP:
    4.09

    Polar Surface Area:
    216.58

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  6. ALA5187220

    Name:
    (S)-2-(4-((1-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-1H-benzo[d]imidazole-6-caShow More

    Mol. Formula:
    C36H32N8O7

    M.W.:
    688.70

    Type:
    ---

    AlogP:
    4.09

    Polar Surface Area:
    216.58

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  7. ALA5186116

    Name:
    (S)-2-(4-bromo-1,5-dimethyl-1H-pyrazole-3-carboxamido)-3-(4-(3-(3-p-tolylurShow More

    Mol. Formula:
    C26H26BrN5O4

    M.W.:
    552.43

    Type:
    ---

    AlogP:
    3.40

    Polar Surface Area:
    125.35

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  8. ALA5185903

    Name:
    (R)-2-(4-((1-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-1H-benzo[d]imidazole-6-caShow More

    Mol. Formula:
    C35H32N10O6

    M.W.:
    688.70

    Type:
    ---

    AlogP:
    3.06

    Polar Surface Area:
    233.13

    HBA:
    13

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  9. ALA5183101

    Name:
    (R)-2-(4-bromo-1,5-dimethyl-1H-pyrazole-3-carboxamido)-3-(4-(3-(3-p-tolylurShow More

    Mol. Formula:
    C26H26BrN5O4

    M.W.:
    552.43

    Type:
    ---

    AlogP:
    3.40

    Polar Surface Area:
    125.35

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  10. ALA5179108

    Name:
    (2S)-3-(2-(1-(tert-butoxycarbonyl)-4-chloro-1H-indol-2-yl)phenyl)-2-(4-oxo-Show More

    Mol. Formula:
    C31H27ClN4O6

    M.W.:
    587.03

    Type:
    ---

    AlogP:
    5.18

    Polar Surface Area:
    132.00

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  11. ALA5175183

    Name:
    (S)-5-((S)-1,6-diamino-1-oxohexan-2-ylamino)-4-((S)-4-(3-((2R,6S)-2,6-dimetShow More

    Mol. Formula:
    C36H58FN7O7S

    M.W.:
    751.97

    Type:
    ---

    AlogP:
    1.93

    Polar Surface Area:
    226.05

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    25

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  12. ALA5173448

    Name:
    (2S)-3-(4'-chloro-2'-(trifluoromethyl)biphenyl-4-yl)-2-(2-(6-methyl-2-oxoinShow More

    Mol. Formula:
    C27H22ClF3N2O4

    M.W.:
    530.93

    Type:
    ---

    AlogP:
    5.57

    Polar Surface Area:
    95.50

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  13. ALA5173145

    Name:
    (R)-3-(3',5'-dichloro-4'-methoxybiphenyl-3-yl)-2-(5-(5-methylfuran-2-yl)-1HShow More

    Mol. Formula:
    C25H21Cl2N3O5

    M.W.:
    514.37

    Type:
    ---

    AlogP:
    5.39

    Polar Surface Area:
    117.45

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  14. ALA5171390

    Name:
    (2R)-3-(2-(1-(tert-butoxycarbonyl)-4-chloro-1H-indol-2-yl)phenyl)-2-(4-oxo-Show More

    Mol. Formula:
    C31H27ClN4O6

    M.W.:
    587.03

    Type:
    ---

    AlogP:
    5.18

    Polar Surface Area:
    132.00

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  15. ALA3774470

    Name:
    6-(Benzofuran-2-yl)-5,6-dihydroimidazo[2,1-b]thiazole

    Mol. Formula:
    C13H10N2OS

    M.W.:
    242.30

    Type:
    Small molecule

    AlogP:
    3.36

    Polar Surface Area:
    28.74

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  16. ALA3774946

    Name:
    1-(Benzofuran-2-yl)-2-(2-iminothiazol-3(2H)-yl)ethanol

    Mol. Formula:
    C13H12N2O2S

    M.W.:
    260.32

    Type:
    Small molecule

    AlogP:
    2.51

    Polar Surface Area:
    62.15

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  17. ALA3774723

    Name:
    1-(Benzofuran-2-yl)-2-(2-iminothiazol-3(2H)-yl)ethanone

    Mol. Formula:
    C13H10N2O2S

    M.W.:
    258.30

    Type:
    Small molecule

    AlogP:
    2.66

    Polar Surface Area:
    58.99

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
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