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  1. ALA4514678

    Name:
    4-((4-((4-(4-Cyano-2,6-dimethylphenoxy)-5,7-dihydr
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    Mol. Formula:
    C28H30N6O3

    M.W.:
    498.59

    Type:
    Unknown

    AlogP:
    3.96

    Polar Surface Area:
    126.39

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  2. ALA4513798

    Name:
    4-chloro-3-methyl-4-(4-(phenylethynyl)phenyl)isoch
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    Mol. Formula:
    C24H17ClO2

    M.W.:
    372.85

    Type:
    Unknown

    AlogP:
    5.13

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  3. ALA4513683

    Name:
    2-(2-(3-(Benzyloxy)phenyl)-7-(8-fluoro-5-methylchr
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    Mol. Formula:
    C36H36FN3O5

    M.W.:
    609.70

    Type:
    Unknown

    AlogP:
    7.66

    Polar Surface Area:
    95.18

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  4. ALA4483455

    Name:
    Ethyl 3-bromo-4-(2-((2-chloro-9-(4-cyclopropyl-nap
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    Mol. Formula:
    C29H23BrClN5O3S

    M.W.:
    636.96

    Type:
    Unknown

    AlogP:
    7.17

    Polar Surface Area:
    99.00

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  5. ALA4483362

    Name:
    N-(6-cyano-3-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin
    Show More

    Mol. Formula:
    C27H23FN4O5

    M.W.:
    502.50

    Type:
    Unknown

    AlogP:
    3.67

    Polar Surface Area:
    117.42

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  6. ALA4483041

    Name:
    (E)-2-{4-[2,6-dichloro-4-(2-cyanovinyl)phenylamino
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    Mol. Formula:
    C28H20Cl2F3N5O3S

    M.W.:
    634.47

    Type:
    Unknown

    AlogP:
    7.98

    Polar Surface Area:
    109.16

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  7. ALA4476838

    Name:
    (R)-N-(2-Amino-1-(5-(hydroxymethyl)thiazol-2-yl)et
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    Mol. Formula:
    C17H18ClN5O2S

    M.W.:
    391.88

    Type:
    Unknown

    AlogP:
    2.42

    Polar Surface Area:
    116.92

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  8. ALA4476773

    Name:
    3,5-dimethyl-4-(2-(4-(morpholinomethyl)phenylamino
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    Mol. Formula:
    C24H25N5O2

    M.W.:
    415.50

    Type:
    Unknown

    AlogP:
    4.33

    Polar Surface Area:
    83.30

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  9. ALA4476732

    Name:
    5-Chloro-N-(1-(2-cyanobenzyl)azetidin-3-yl)-3-((3,
    Show More

    Mol. Formula:
    C28H25ClN4O3S

    M.W.:
    533.05

    Type:
    Unknown

    AlogP:
    4.76

    Polar Surface Area:
    106.06

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  10. ALA4476653

    Name:
    (S)-2-(2-((4-Bromophenyl)sulfonamido)acetamido)-N-
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    Mol. Formula:
    C25H26BrN3O5S

    M.W.:
    560.47

    Type:
    Unknown

    AlogP:
    3.13

    Polar Surface Area:
    104.81

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  11. ALA4476638

    Name:
    4-[3-[2-carboxy-2-[[7-[[1-carboxy-2-[2-(4-carboxyp
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    Mol. Formula:
    C64H57N7O17

    M.W.:
    1196.19

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA4476541

    Name:
    2-amino-N-(2-methoxypyridin-3-yl)-6-((4-nitropheny
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    Mol. Formula:
    C19H16N4O6S

    M.W.:
    428.43

    Type:
    Unknown

    AlogP:
    2.67

    Polar Surface Area:
    154.52

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  13. ALA4476506

    Name:
    4'-((2-((4-cyanophenyl)amino)pyrimidin-4-yl)oxy)-3
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    Mol. Formula:
    C25H17N5O

    M.W.:
    403.45

    Type:
    Unknown

    AlogP:
    5.73

    Polar Surface Area:
    94.62

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  14. ALA4476366

    Name:
    2-(tert-Butoxy)-2-(7-(chroman-6-yl)-5-methyl-2-phe
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    Mol. Formula:
    C28H29N3O4

    M.W.:
    471.56

    Type:
    Unknown

    AlogP:
    5.64

    Polar Surface Area:
    85.95

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  15. ALA4476333

    Name:
    (S)-2-((S)-2-((2S,3R)-2-((S)-1-((S)-2,6-bis((S)-6-
    Show More

    Mol. Formula:
    C87H109N17O16

    M.W.:
    1648.93

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA4475949

    Name:
    Soulieoside N

    Mol. Formula:
    C35H58O10

    M.W.:
    638.84

    Type:
    Unknown

    AlogP:
    1.87

    Polar Surface Area:
    169.30

    HBA:
    10

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  17. ALA4475694

    Name:
    4-((6-Chloro-4-(cyclopropylethynyl)-4-(trifluorome
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    Mol. Formula:
    C21H14ClF3N4

    M.W.:
    414.82

    Type:
    Unknown

    AlogP:
    5.09

    Polar Surface Area:
    60.21

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  18. ALA4475109

    Name:
    (E)-2-{4-[2,6-dichloro-4-(2-cyanovinyl)phenylamino
    Show More

    Mol. Formula:
    C27H20Cl2N6O6S

    M.W.:
    627.47

    Type:
    Unknown

    AlogP:
    5.89

    Polar Surface Area:
    175.36

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  19. ALA4475105

    Name:
    2-(tert-Butoxy)-2-(5-methyl-2-phenyl-7-(m-tolyl)py
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    Mol. Formula:
    C26H27N3O3

    M.W.:
    429.52

    Type:
    Unknown

    AlogP:
    5.62

    Polar Surface Area:
    76.72

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  20. ALA4474877

    Name:
    (S)-N-(4-Methoxyphenyl)-N-methyl-3-phenyl-2-(2-((2
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    Mol. Formula:
    C34H45N3O5S

    M.W.:
    607.82

    Type:
    Unknown

    AlogP:
    5.73

    Polar Surface Area:
    104.81

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
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