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  1. ALA4514244

    Name:
    5-(2,3-dichlorophenylthio)-3H-imidazo[4,5-b]pyridi
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    Mol. Formula:
    C12H8Cl2N4S

    M.W.:
    311.20

    Type:
    Unknown

    AlogP:
    4.00

    Polar Surface Area:
    67.59

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  2. ALA4476728

    Name:
    (Z)-2-(5-((6-(4-Methylbenzyloxy)naphthalen-2-yl)me
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    Mol. Formula:
    C33H26N2O4S2

    M.W.:
    578.72

    Type:
    Unknown

    AlogP:
    7.11

    Polar Surface Area:
    82.63

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  3. ALA4475081

    Name:
    (3S,4S)-8-(7-(2,3-dichlorophenyl)-5H-pyrrolo[2,3-b
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    Mol. Formula:
    C21H23Cl2N5O

    M.W.:
    432.36

    Type:
    Unknown

    AlogP:
    4.26

    Polar Surface Area:
    80.06

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  4. ALA4475043

    Name:
    (3S,4S)-8-(3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-
    Show More

    Mol. Formula:
    C20H22Cl2N6O

    M.W.:
    433.34

    Type:
    Unknown

    AlogP:
    3.66

    Polar Surface Area:
    92.95

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  5. ALA4474212

    Name:
    Methyl 2-Fluoro-3,4,6-trihydroxy-5-oxo-5H-benzo[7]
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    Mol. Formula:
    C13H9FO6

    M.W.:
    280.21

    Type:
    Unknown

    AlogP:
    1.24

    Polar Surface Area:
    104.06

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  6. ALA4540461

    Name:
    3-(4-Amino-4-methylpiperidin-1-yl)-6-(2,3-dichloro
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    Mol. Formula:
    C15H18Cl2N6

    M.W.:
    353.26

    Type:
    Unknown

    AlogP:
    2.75

    Polar Surface Area:
    93.95

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  7. ALA4539178

    Name:
    3-(2-amino-3-chloropyridin-4-yl)-6-((3S,4S)-4-amin
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    Mol. Formula:
    C20H25ClN8O2

    M.W.:
    444.93

    Type:
    Unknown

    AlogP:
    1.29

    Polar Surface Area:
    140.97

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  8. ALA4539145

    Name:
    6-(4-(aminomethyl)-4-methylpiperidin-1-yl)-3-(2,3-
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    Mol. Formula:
    C19H22Cl2N6O

    M.W.:
    421.33

    Type:
    Unknown

    AlogP:
    3.20

    Polar Surface Area:
    92.83

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  9. ALA4537504

    Name:
    6-amino-2-((1S,2S,3R)-1-amino-2-fluoro-3-methyl-8-
    Show More

    Mol. Formula:
    C21H26F4N6OS

    M.W.:
    486.54

    Type:
    Unknown

    AlogP:
    3.22

    Polar Surface Area:
    103.06

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  10. ALA4536642

    Name:
    1-(4-(allyloxy)-2-hydroxy-5-(piperidin-1-ylmethyl)
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    Mol. Formula:
    C24H25Cl2NO3

    M.W.:
    446.37

    Type:
    Unknown

    AlogP:
    6.15

    Polar Surface Area:
    49.77

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  11. ALA4522045

    Name:
    Cinerol D

    Mol. Formula:
    C23H31NO2

    M.W.:
    353.51

    Type:
    Unknown

    AlogP:
    6.18

    Polar Surface Area:
    46.26

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  12. ALA4531137

    Name:
    2-((3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]d
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    Mol. Formula:
    C20H24F3N5O2S

    M.W.:
    455.51

    Type:
    Unknown

    AlogP:
    2.68

    Polar Surface Area:
    86.27

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  13. ALA4558595

    Name:
    Cinerol I

    Mol. Formula:
    C26H33NO2

    M.W.:
    391.56

    Type:
    Unknown

    AlogP:
    6.34

    Polar Surface Area:
    42.23

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  14. ALA4558200

    Name:
    5-(3,4-Dimethylphenyl)-2-(cis-3,5-dimethylpiperazi
    Show More

    Mol. Formula:
    C18H25N5

    M.W.:
    311.43

    Type:
    Unknown

    AlogP:
    2.53

    Polar Surface Area:
    67.07

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  15. ALA4570587

    Name:
    3-((2-amino-3-chloropyridin-4-yl)thio)-6-((3S,4S)-
    Show More

    Mol. Formula:
    C20H25ClN8O2S

    M.W.:
    476.99

    Type:
    Unknown

    AlogP:
    1.77

    Polar Surface Area:
    140.97

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  16. ALA4527772

    Name:
    (3S,6S,9S,12S,15S,18S,21S,24S,27S)-27-acetamido-18
    Show More

    Mol. Formula:
    C51H75N10O24P

    M.W.:
    1243.18

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA4526406

    Name:
    Cinerol J

    Mol. Formula:
    C23H33NO2

    M.W.:
    355.52

    Type:
    Unknown

    AlogP:
    5.69

    Polar Surface Area:
    49.33

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  18. ALA4548850

    Name:
    3-(4-bromophenyl)-6-p-tolyl-1H-pyrazolo[3,4-b]pyri
    Show More

    Mol. Formula:
    C20H14BrN3O2

    M.W.:
    408.26

    Type:
    Unknown

    AlogP:
    5.06

    Polar Surface Area:
    78.87

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  19. ALA4548611

    Name:
    (3S,6S,9S,12S,15S,18S,21S,24S,27S)-27-acetamido-18
    Show More

    Mol. Formula:
    C50H73N10O24P

    M.W.:
    1229.15

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA4548346

    Name:
    1-(4-(allyloxy)-2-hydroxy-5-((4-hydroxypiperidin-1
    Show More

    Mol. Formula:
    C24H25Cl2NO4

    M.W.:
    462.37

    Type:
    Unknown

    AlogP:
    5.12

    Polar Surface Area:
    70.00

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
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