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  1. ALA4514713

    Name:
    (S)-N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(5-
    Show More

    Mol. Formula:
    C20H29N3O3

    M.W.:
    359.47

    Type:
    Unknown

    AlogP:
    2.43

    Polar Surface Area:
    97.35

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  2. ALA4514216

    Name:
    tert-butyl 6-(5-(4-chlorophenyl)-4-methyl-3-(piper
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    Mol. Formula:
    C26H37ClN4O3

    M.W.:
    489.06

    Type:
    Unknown

    AlogP:
    5.54

    Polar Surface Area:
    76.46

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  3. ALA4513876

    Name:
    1-(4-chlorophenyl)-3-(3-(5-methylthiophen-3-yl)phe
    Show More

    Mol. Formula:
    C18H15ClN2OS

    M.W.:
    342.85

    Type:
    Unknown

    AlogP:
    6.02

    Polar Surface Area:
    41.13

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  4. ALA4513527

    Name:
    N-(biphenyl-4-ylmethyl)-3-(methoxymethyl)-1H-indol
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    Mol. Formula:
    C23H22N2O3S

    M.W.:
    406.51

    Type:
    Unknown

    AlogP:
    4.46

    Polar Surface Area:
    71.19

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  5. ALA4513477

    Name:
    1-(4-Chlorophenyl)-3-[5-(3-methoxyphenyl)thiophen-
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    Mol. Formula:
    C18H15ClN2O2S

    M.W.:
    358.85

    Type:
    Unknown

    AlogP:
    5.72

    Polar Surface Area:
    50.36

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  6. ALA4483721

    Name:
    1-(3,4-dichlorophenyl)-4,4-dimethyl-7-(2-methyloct
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    Mol. Formula:
    C27H32Cl2N2O2

    M.W.:
    487.47

    Type:
    Unknown

    AlogP:
    8.43

    Polar Surface Area:
    47.28

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  7. ALA4483617

    Name:
    N-(benzo[d]thiazol-2-yl)adamantane-1-carboxamide

    Cas Number:
    35871-25-1

    Mol. Formula:
    C18H20N2OS

    M.W.:
    312.44

    Type:
    Unknown

    AlogP:
    4.45

    Polar Surface Area:
    41.99

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  8. ALA4483556

    Name:
    rac-3-(2-Nitro-1-(thiophen-2-yl)ethyl)-2-phenyl-1H
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    Mol. Formula:
    C21H15N3O2S

    M.W.:
    373.44

    Type:
    Unknown

    AlogP:
    5.18

    Polar Surface Area:
    82.72

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  9. ALA4483407

    Name:
    3-(1-(3-Fluorophenyl)-2-nitroethyl)-2-phenyl-1H-in
    Show More

    Mol. Formula:
    C22H17FN2O2

    M.W.:
    360.39

    Type:
    Unknown

    AlogP:
    5.38

    Polar Surface Area:
    58.93

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  10. ALA4483342

    Name:
    6-Fluoro-2-(3-fluorophenyl)-3-(1-(4-fluorophenyl)-
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    Mol. Formula:
    C22H15F3N2O2

    M.W.:
    396.37

    Type:
    Unknown

    AlogP:
    5.66

    Polar Surface Area:
    58.93

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  11. ALA4483043

    Name:
    7-(1,1-Dimethylheptyl)-2-ethyl-2,4-dihydro-9-(2-hy
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    Mol. Formula:
    C25H38N2O3

    M.W.:
    414.59

    Type:
    Unknown

    AlogP:
    5.82

    Polar Surface Area:
    56.51

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  12. ALA4483033

    Name:
    N-(Adamantan-1-yl)-7-pentyl-7H-pyrrolo[2,3-b]pyrid
    Show More

    Mol. Formula:
    C23H31N3O

    M.W.:
    365.52

    Type:
    Unknown

    AlogP:
    4.88

    Polar Surface Area:
    46.92

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  13. ALA4476813

    Name:
    rac-2-(4-Chlorophenyl)-6-methyl-3-(2-nitro-1-(thio
    Show More

    Mol. Formula:
    C21H17ClN2O2S

    M.W.:
    396.90

    Type:
    Unknown

    AlogP:
    6.27

    Polar Surface Area:
    58.93

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  14. ALA4476795

    Name:
    N-(Cyclopropylmethyl)-2-(5-methoxy-2-methyl-1-(2-m
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    Mol. Formula:
    C22H31N3O3

    M.W.:
    385.51

    Type:
    Unknown

    AlogP:
    2.36

    Polar Surface Area:
    55.73

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  15. ALA4476642

    Name:
    (S)-N-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-pen
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    Mol. Formula:
    C19H28N4O2

    M.W.:
    344.46

    Type:
    Unknown

    AlogP:
    2.86

    Polar Surface Area:
    90.01

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  16. ALA4476491

    Name:
    N-Cyclohexyl({1-[8-(2-chlorophenyl)-9-(4-chlorophe
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    Mol. Formula:
    C28H31Cl2N7O2S

    M.W.:
    600.58

    Type:
    Unknown

    AlogP:
    5.51

    Polar Surface Area:
    105.04

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  17. ALA4476434

    Name:
    N-Methyl-4-[(1-pentyl-1H-indol-3-yl)carbonyl]napht
    Show More

    Mol. Formula:
    C26H26N2O2

    M.W.:
    398.51

    Type:
    Unknown

    AlogP:
    5.58

    Polar Surface Area:
    51.10

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  18. ALA4476276

    Name:
    N-{1-[8-(2-Chlorophenyl)-9-(1-methyl-1H-pyrazol-3-
    Show More

    Mol. Formula:
    C26H23ClF2N8O2S

    M.W.:
    585.04

    Type:
    Unknown

    AlogP:
    4.09

    Polar Surface Area:
    110.83

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  19. ALA4476184

    Name:
    9-bromo-13-heptyl-9,10-dihydro-9,10-[3,4]epipyrrol
    Show More

    Mol. Formula:
    C25H26BrNO2

    M.W.:
    452.39

    Type:
    Unknown

    AlogP:
    5.36

    Polar Surface Area:
    37.38

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  20. ALA4476181

    Name:
    N-(Biphenyl-4-ylmethyl)-5-bromo-1H-indole-2-sulfon
    Show More

    Mol. Formula:
    C21H17BrN2O2S

    M.W.:
    441.35

    Type:
    Unknown

    AlogP:
    5.08

    Polar Surface Area:
    61.96

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
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