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  1. ALA1096242

    Name:
    4-(1-aziranylcarbonyloxy)-1,9-dihydroxy-15-(1-hydroxy-2-phenyl-2-phenylcarbShow More

    Mol. Formula:
    C48H52N2O14

    M.W.:
    880.94

    Type:
    Small molecule

    AlogP:
    3.62

    Polar Surface Area:
    224.30

    HBA:
    14

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  2. ALA216691

    Name:
    1-hydroxy-15-(1-hydroxy-2-phenyl-2-phenylcarboxamidoethylcarbonyloxy)-10,14Show More

    Mol. Formula:
    C62H70Cl2N2O16

    M.W.:
    1170.15

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA354586

    Name:
    8-fluoro-1,9-dihydroxy-10,14,17,17-tetramethyl-4,12-di(methylcarbonyloxy)-1Show More

    Mol. Formula:
    C47H50FNO14

    M.W.:
    871.91

    Type:
    Small molecule

    AlogP:
    3.68

    Polar Surface Area:
    221.29

    HBA:
    14

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  4. ALA352387

    Name:
    docetaxel analogue

    Mol. Formula:
    C44H55NO14

    M.W.:
    821.92

    Type:
    Small molecule

    AlogP:
    3.57

    Polar Surface Area:
    224.45

    HBA:
    14

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  5. ALA167416

    Name:
    paclitaxel analogue

    Mol. Formula:
    C45H54FNO15

    M.W.:
    867.92

    Type:
    Small molecule

    AlogP:
    3.78

    Polar Surface Area:
    230.52

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  6. ALA354100

    Name:
    paclitaxel analogue

    Mol. Formula:
    C45H55NO15

    M.W.:
    849.93

    Type:
    Small molecule

    AlogP:
    3.83

    Polar Surface Area:
    230.52

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  7. ALA216539

    Name:
    (1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-9-({[bis({2-[(4-{4-[bis(2-Show More

    Mol. Formula:
    C81H96Cl4N4O20

    M.W.:
    1587.48

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA424730

    Name:
    (1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetyloxy)-9-[({bis[2-(acetyloxy)ethyShow More

    Mol. Formula:
    C57H66N2O20

    M.W.:
    1099.15

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA354136

    Name:
    docetaxel analogue

    Mol. Formula:
    C45H55NO14

    M.W.:
    833.93

    Type:
    Small molecule

    AlogP:
    3.90

    Polar Surface Area:
    224.45

    HBA:
    14

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  10. ALA348855

    Name:
    docetaxel analogue

    Mol. Formula:
    C45H55NO15

    M.W.:
    849.93

    Type:
    Small molecule

    AlogP:
    3.46

    Polar Surface Area:
    241.52

    HBA:
    15

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  11. ALA166171

    Name:
    docetaxel analogue

    Mol. Formula:
    C50H57NO15

    M.W.:
    912.00

    Type:
    Small molecule

    AlogP:
    4.49

    Polar Surface Area:
    241.52

    HBA:
    15

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  12. ALA353611

    Name:
    docetaxel analogue

    Mol. Formula:
    C45H53NO14

    M.W.:
    831.91

    Type:
    Small molecule

    AlogP:
    3.24

    Polar Surface Area:
    224.45

    HBA:
    14

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  13. ALA414574

    Name:
    1-hydroxy-15-(1-hydroxy-2-phenyl-2-phenylcarboxamidoethylcarbonyloxy)-10,14Show More

    Mol. Formula:
    C61H68Cl2N2O15

    M.W.:
    1140.12

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA436054

    Name:
    8-bromo-1,9-dihydroxy-10,14,17,17-tetramethyl-4,12-di(methylcarbonyloxy)-11Show More

    Mol. Formula:
    C47H50BrNO14

    M.W.:
    932.81

    Type:
    Small molecule

    AlogP:
    4.11

    Polar Surface Area:
    221.29

    HBA:
    14

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  15. ALA352336

    Name:
    docetaxel analogue

    Mol. Formula:
    C44H53NO15

    M.W.:
    835.90

    Type:
    Small molecule

    AlogP:
    3.07

    Polar Surface Area:
    241.52

    HBA:
    15

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  16. ALA352335

    Name:
    docetaxel analogue

    Mol. Formula:
    C44H55NO15

    M.W.:
    837.92

    Type:
    Small molecule

    AlogP:
    2.75

    Polar Surface Area:
    244.68

    HBA:
    15

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  17. ALA355364

    Name:
    docetaxel analogue

    Mol. Formula:
    C46H57NO14

    M.W.:
    847.96

    Type:
    Small molecule

    AlogP:
    4.29

    Polar Surface Area:
    224.45

    HBA:
    14

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  18. ALA435275

    Name:
    docetaxel analogue

    Mol. Formula:
    C49H57NO14

    M.W.:
    883.99

    Type:
    Small molecule

    AlogP:
    4.93

    Polar Surface Area:
    224.45

    HBA:
    14

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  19. ALA446173

    Name:
    8-chloro-1,9-dihydroxy-10,14,17,17-tetramethyl-4,12-di(methylcarbonyloxy)-1Show More

    Mol. Formula:
    C47H50ClNO14

    M.W.:
    888.36

    Type:
    Small molecule

    AlogP:
    3.95

    Polar Surface Area:
    221.29

    HBA:
    14

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  20. ALA162908

    Name:
    3-Hydroxy-4-methoxy-N-(3,4,5-trimethoxy-phenyl)-benzamide

    Mol. Formula:
    C17H19NO6

    M.W.:
    333.34

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    86.25

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
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