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  1. ALA428183

    Name:
    DHA-SB-T-1216

    Mol. Formula:
    C66H90N2O16

    M.W.:
    1167.44

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA338256

    Name:
    Derivative of Docetaxel

    Mol. Formula:
    C48H66N2O15

    M.W.:
    911.05

    Type:
    Small molecule

    AlogP:
    4.92

    Polar Surface Area:
    242.55

    HBA:
    15

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  3. ALA420349

    Name:
    3'-Dephenyl-3'-(2-methylpropyl)-10-n-propanoyldoce
    Show More

    Mol. Formula:
    C44H61NO15

    M.W.:
    843.96

    Type:
    Small molecule

    AlogP:
    3.89

    Polar Surface Area:
    230.52

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  4. ALA435607

    Name:
    Derivative of Docetaxel

    Mol. Formula:
    C48H65NO15

    M.W.:
    896.04

    Type:
    Small molecule

    AlogP:
    4.98

    Polar Surface Area:
    230.52

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  5. ALA340628

    Name:
    Derivative of Docetaxel

    Mol. Formula:
    C45H59NO15

    M.W.:
    853.96

    Type:
    Small molecule

    AlogP:
    3.98

    Polar Surface Area:
    230.52

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  6. ALA125399

    Name:
    3'-Dephenyl-10-n-hexanoyl-3'-(2-methyl-2-propenyl)
    Show More

    Mol. Formula:
    C47H65NO15

    M.W.:
    884.03

    Type:
    Small molecule

    AlogP:
    4.98

    Polar Surface Area:
    230.52

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  7. ALA338714

    Name:
    Derivative of Docetaxel

    Mol. Formula:
    C42H57NO14

    M.W.:
    799.91

    Type:
    Small molecule

    AlogP:
    3.51

    Polar Surface Area:
    213.45

    HBA:
    14

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  8. ALA339370

    Name:
    3'-Dephenyl-10-(N,N-dimethylcarbamoyl)-3'-(2-methy
    Show More

    Mol. Formula:
    C44H60N2O15

    M.W.:
    856.96

    Type:
    Small molecule

    AlogP:
    3.56

    Polar Surface Area:
    233.76

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  9. ALA126916

    Name:
    10-(Cyclopropylcarbonyl)-3'-Dephenyl-3'-(2-methyl-
    Show More

    Mol. Formula:
    C45H59NO15

    M.W.:
    853.96

    Type:
    Small molecule

    AlogP:
    3.81

    Polar Surface Area:
    230.52

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  10. ALA126678

    Name:
    3'-Dephenyl-3'-(2-methyl-2-propenyl)-10-n-propanoy
    Show More

    Mol. Formula:
    C44H59NO15

    M.W.:
    841.95

    Type:
    Small molecule

    AlogP:
    3.81

    Polar Surface Area:
    230.52

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  11. ALA339531

    Name:
    SB-T-1212

    Mol. Formula:
    C43H57NO15

    M.W.:
    827.92

    Type:
    Small molecule

    AlogP:
    3.42

    Polar Surface Area:
    230.52

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  12. ALA339283

    Name:
    Derivative of Docetaxel

    Mol. Formula:
    C47H65NO15

    M.W.:
    884.03

    Type:
    Small molecule

    AlogP:
    4.84

    Polar Surface Area:
    230.52

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  13. ALA419594

    Name:
    Derivative of Docetaxel

    Mol. Formula:
    C46H64N2O15

    M.W.:
    885.02

    Type:
    Small molecule

    AlogP:
    4.34

    Polar Surface Area:
    233.76

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  14. ALA129126

    Name:
    Derivative of Docetaxel

    Mol. Formula:
    C43H58N2O15

    M.W.:
    842.94

    Type:
    Small molecule

    AlogP:
    3.22

    Polar Surface Area:
    242.55

    HBA:
    15

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  15. ALA340127

    Name:
    Derivative of Docetaxel

    Mol. Formula:
    C45H62N2O15

    M.W.:
    870.99

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    242.55

    HBA:
    15

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  16. ALA341465

    Name:
    Derivative of Docetaxel

    Mol. Formula:
    C45H60N2O15

    M.W.:
    868.97

    Type:
    Small molecule

    AlogP:
    3.77

    Polar Surface Area:
    242.55

    HBA:
    15

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  17. ALA421653

    Name:
    Derivative of Docetaxel

    Mol. Formula:
    C46H62N2O16

    M.W.:
    899.00

    Type:
    Small molecule

    AlogP:
    3.33

    Polar Surface Area:
    242.99

    HBA:
    16

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  18. ALA126932

    Name:
    10-Acetyl-3'-(2-methylpropyl) docetaxel

    Mol. Formula:
    C43H59NO15

    M.W.:
    829.94

    Type:
    Small molecule

    AlogP:
    3.50

    Polar Surface Area:
    230.52

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  19. ALA340250

    Name:
    3'-Dephenyl-10-(methoxycarbonyl)-3'-(2-methyl-2-pr
    Show More

    Mol. Formula:
    C43H57NO16

    M.W.:
    843.92

    Type:
    Small molecule

    AlogP:
    3.64

    Polar Surface Area:
    239.75

    HBA:
    16

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  20. ALA339518

    Name:
    Derivative of Docetaxel

    Mol. Formula:
    C44H60N2O15

    M.W.:
    856.96

    Type:
    Small molecule

    AlogP:
    3.61

    Polar Surface Area:
    242.55

    HBA:
    15

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
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