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  1. ALA4799960

    Name:
    (-)-1,8-dimethyl-8a-phenyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-3a-ol

    Mol. Formula:
    C18H20N2O

    M.W.:
    280.37

    Type:
    Unknown

    AlogP:
    2.51

    Polar Surface Area:
    26.71

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.87

    DETAILS
  2. ALA4797104

    Name:
    (+)-5-bromo-1,8-dimethyl-8a-phenyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indShow More

    Mol. Formula:
    C18H19BrN2O

    M.W.:
    359.27

    Type:
    Unknown

    AlogP:
    3.28

    Polar Surface Area:
    26.71

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  3. ALA4783212

    Name:
    (3aS,8aS)-8a-(4-methoxyphenyl)-1,8-dimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[Show More

    Mol. Formula:
    C19H22N2O2

    M.W.:
    310.40

    Type:
    Unknown

    AlogP:
    2.52

    Polar Surface Area:
    35.94

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  4. ALA4757992

    Name:
    (-)-5-iodo-1,8-dimethyl-8a-phenyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indoShow More

    Mol. Formula:
    C18H19IN2O

    M.W.:
    406.27

    Type:
    Unknown

    AlogP:
    3.12

    Polar Surface Area:
    26.71

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  5. ALA1829024

    Name:
    3',5-diallyl-2,4'-dipropoxybiphenyl

    Mol. Formula:
    C24H30O2

    M.W.:
    350.50

    Type:
    Small molecule

    AlogP:
    6.39

    Polar Surface Area:
    18.46

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  6. ALA1829023

    Name:
    3',5-diallyl-2,4'-diethoxybiphenyl

    Mol. Formula:
    C22H26O2

    M.W.:
    322.45

    Type:
    Small molecule

    AlogP:
    5.61

    Polar Surface Area:
    18.46

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  7. ALA1829021

    Name:
    3,5'-diallyl-2'-propoxybiphenyl-4-ol

    Mol. Formula:
    C21H24O2

    M.W.:
    308.42

    Type:
    Small molecule

    AlogP:
    5.31

    Polar Surface Area:
    29.46

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  8. ALA1829020

    Name:
    3,5'-diallyl-2'-ethoxybiphenyl-4-ol

    Mol. Formula:
    C20H22O2

    M.W.:
    294.39

    Type:
    Small molecule

    AlogP:
    4.91

    Polar Surface Area:
    29.46

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  9. ALA1829017

    Name:
    3',5-diallyl-4'-ethoxybiphenyl-2-ol

    Mol. Formula:
    C20H22O2

    M.W.:
    294.39

    Type:
    Small molecule

    AlogP:
    4.91

    Polar Surface Area:
    29.46

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  10. ALA1814312

    Name:
    3-acetylamino-4'-O-methylhonokiol

    Mol. Formula:
    C21H23NO3

    M.W.:
    337.42

    Type:
    Small molecule

    AlogP:
    4.48

    Polar Surface Area:
    58.56

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  11. ALA1814311

    Name:
    3-(N,N-diethylamino)-4'-O-methylhonokiol

    Mol. Formula:
    C23H29NO2

    M.W.:
    351.49

    Type:
    Small molecule

    AlogP:
    5.37

    Polar Surface Area:
    32.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  12. ALA1814310

    Name:
    3-(N-Ethylamino)-4'-O-methylhonokiol

    Mol. Formula:
    C21H25NO2

    M.W.:
    323.44

    Type:
    Small molecule

    AlogP:
    4.96

    Polar Surface Area:
    41.49

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  13. ALA1814309

    Name:
    4'-O-Methyl-3-(N,N-dimethylamino)-honokiol

    Mol. Formula:
    C21H25NO2

    M.W.:
    323.44

    Type:
    Small molecule

    AlogP:
    4.59

    Polar Surface Area:
    32.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  14. ALA1814308

    Name:
    4'-O-Methyl-3-(N-methylamino)-honokiol

    Mol. Formula:
    C20H23NO2

    M.W.:
    309.41

    Type:
    Small molecule

    AlogP:
    4.57

    Polar Surface Area:
    41.49

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  15. ALA1814307

    Name:
    3-Amino-4'-methoxy-3',5-dipropyl-biphenyl-2-ol

    Mol. Formula:
    C19H25NO2

    M.W.:
    299.41

    Type:
    Small molecule

    AlogP:
    4.56

    Polar Surface Area:
    55.48

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  16. ALA1814306

    Name:
    3-amino-4'-O-methylhonokiol

    Mol. Formula:
    C19H21NO2

    M.W.:
    295.38

    Type:
    Small molecule

    AlogP:
    4.11

    Polar Surface Area:
    55.48

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  17. ALA1814305

    Name:
    4'-O-methyl-3-nitro-honokiol

    Mol. Formula:
    C19H19NO4

    M.W.:
    325.36

    Type:
    Small molecule

    AlogP:
    4.43

    Polar Surface Area:
    72.60

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  18. ALA1814304

    Name:
    3',5-diallyl-2,4'-bis(pentyloxy)biphenyl

    Mol. Formula:
    C28H38O2

    M.W.:
    406.61

    Type:
    Small molecule

    AlogP:
    7.95

    Polar Surface Area:
    18.46

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  19. ALA1814303

    Name:
    3',5-diallyl-4'-(pentyloxy)biphenyl-2-ol

    Mol. Formula:
    C23H28O2

    M.W.:
    336.48

    Type:
    Small molecule

    AlogP:
    6.09

    Polar Surface Area:
    29.46

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  20. ALA1814302

    Name:
    3,5'-diallyl-2'-(pentyloxy)biphenyl-4-ol

    Mol. Formula:
    C23H28O2

    M.W.:
    336.48

    Type:
    Small molecule

    AlogP:
    6.09

    Polar Surface Area:
    29.46

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
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