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  1. ALA4570134

    Name:
    (S)-2-(3-(3-(tert-butyl)-4-((4-(trifluoromethyl)be
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    Mol. Formula:
    C25H29ClF3N5O2

    M.W.:
    523.99

    Type:
    Unknown

    AlogP:
    5.66

    Polar Surface Area:
    101.26

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  2. ALA4462152

    Name:
    (S)-2-(3-(3-propyl-4-((4-(trifluoromethyl)benzyl)o
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    Mol. Formula:
    C24H27ClF3N5O2

    M.W.:
    509.96

    Type:
    Unknown

    AlogP:
    5.32

    Polar Surface Area:
    101.26

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  3. ALA4466495

    Name:
    (S)-2-(3-(3-ethyl-4-((4-(trifluoromethyl)benzyl)ox
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    Mol. Formula:
    C23H25ClF3N5O2

    M.W.:
    495.93

    Type:
    Unknown

    AlogP:
    4.93

    Polar Surface Area:
    101.26

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  4. ALA4099069

    Name:
    Euphoboetirane L

    Mol. Formula:
    C28H36O6

    M.W.:
    468.59

    Type:
    Small molecule

    AlogP:
    4.11

    Polar Surface Area:
    93.06

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  5. ALA4102257

    Name:
    (2R,3S)-Cyclohexyl 3-(N-cinnamoyl)amino-3-phenyl-2
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    Mol. Formula:
    C31H32N2O4

    M.W.:
    496.61

    Type:
    Small molecule

    AlogP:
    5.23

    Polar Surface Area:
    84.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  6. ALA4473353

    Name:
    (S)-2-(3-(3-allyl-4-((4-(trifluoromethyl)benzyl)ox
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    Mol. Formula:
    C24H25ClF3N5O2

    M.W.:
    507.94

    Type:
    Unknown

    AlogP:
    5.09

    Polar Surface Area:
    101.26

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  7. ALA4072099

    Name:
    Euphoboetirane K

    Mol. Formula:
    C28H33F3O5

    M.W.:
    506.56

    Type:
    Small molecule

    AlogP:
    5.12

    Polar Surface Area:
    83.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  8. ALA4060707

    Name:
    Euphoboetirane N

    Mol. Formula:
    C28H33F3O5

    M.W.:
    506.56

    Type:
    Small molecule

    AlogP:
    5.12

    Polar Surface Area:
    83.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  9. ALA4082579

    Name:
    Euphoboetirane M

    Mol. Formula:
    C27H33BrO5

    M.W.:
    517.46

    Type:
    Small molecule

    AlogP:
    4.86

    Polar Surface Area:
    83.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  10. ALA4079791

    Name:
    Euphoboetirane A

    Mol. Formula:
    C26H36O7

    M.W.:
    460.57

    Type:
    Small molecule

    AlogP:
    3.95

    Polar Surface Area:
    95.97

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  11. ALA3798070

    Name:
    (R)-Vanessine

    Mol. Formula:
    C19H31NO3

    M.W.:
    321.46

    Type:
    Small molecule

    AlogP:
    4.05

    Polar Surface Area:
    62.32

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  12. ALA3799490

    Name:
    (5S,8R)-8-hydroxy-3-methoxy-2-methyl-5-octyl-5,6,7
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    Mol. Formula:
    C19H31NO3

    M.W.:
    321.46

    Type:
    Small molecule

    AlogP:
    4.35

    Polar Surface Area:
    62.32

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  13. ALA3799106

    Name:
    (5S,8R)-3,8-dimethoxy-2-methyl-5-(5-phenylpentyl)-
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    Mol. Formula:
    C23H31NO3

    M.W.:
    369.51

    Type:
    Small molecule

    AlogP:
    5.06

    Polar Surface Area:
    51.32

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  14. ALA5276777

    Name:
    (1S,2E,10Z,12E,15R,16E,18Z,21S,23R,24R)-23,24-dihy
    Show More

    Mol. Formula:
    C30H44O11

    M.W.:
    580.67

    Type:
    ---

    AlogP:
    0.73

    Polar Surface Area:
    175.37

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  15. ALA5275458

    Name:
    (3Z,5E,9E,11Z,14S,16R,17S,19E,24R)-14,16,17-trihyd
    Show More

    Mol. Formula:
    C30H44O12

    M.W.:
    596.67

    Type:
    ---

    AlogP:
    0.05

    Polar Surface Area:
    195.60

    HBA:
    12

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  16. ALA5205874

    Name:
    1-vinyl-9H-pyrido[3,4-b]indole-3-carboxylic acid

    Mol. Formula:
    C14H10N2O2

    M.W.:
    238.25

    Type:
    ---

    AlogP:
    3.06

    Polar Surface Area:
    65.98

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  17. ALA5185301

    Name:
    Canthin-6-one-N-oxide

    Mol. Formula:
    C14H10N2O2

    M.W.:
    238.25

    Type:
    ---

    AlogP:
    1.53

    Polar Surface Area:
    46.38

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.51

    DETAILS
  18. ALA5183790

    Name:
    N-ethyl-1-hydroxybenzo[d][1,2,3]diazaborinine-2(1H
    Show More

    Mol. Formula:
    C10H12BN3OS

    M.W.:
    233.10

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. ALA4456325

    Name:
    (S)-2-(3-(3-cyclopropyl-4-((4-(trifluoromethyl)ben
    Show More

    Mol. Formula:
    C24H25ClF3N5O2

    M.W.:
    507.94

    Type:
    Unknown

    AlogP:
    5.24

    Polar Surface Area:
    101.26

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  20. ALA4453931

    Name:
    (S)-2-(3-(3-(trifluoromethyl)-4-(4-(trifluoromethy
    Show More

    Mol. Formula:
    C22H20ClF6N5O2

    M.W.:
    535.88

    Type:
    Unknown

    AlogP:
    5.38

    Polar Surface Area:
    101.26

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
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