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  1. Type:
    Small molecule

    AlogP:
    6.56

    Polar Surface Area:
    12.47

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  2. ALA373801

    Name:
    DHA-SB-T-1104

    Mol. Formula:
    C67H91NO16

    M.W.:
    1166.46

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA267441

    Name:
    DHA-SB-T-1214

    Mol. Formula:
    C67H89NO16

    M.W.:
    1164.44

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA413474

    Name:
    DHA-SB-T-1103

    Mol. Formula:
    C66H91NO16

    M.W.:
    1154.44

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA374359

    Name:
    DHA-SB-T-1213

    Mol. Formula:
    C66H89NO16

    M.W.:
    1152.43

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA219521

    Name:
    DHA-Docetaxel

    Mol. Formula:
    C65H83NO15

    M.W.:
    1118.37

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA380432

    Name:
    SB-T-1217

    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
  8. ALA203874

    Name:
    SB-T-1104

    Mol. Formula:
    C45H61NO15

    M.W.:
    855.97

    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
  9. ALA204644

    Name:
    SB-T-1216

    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
  10. ALA438238

    Name:
    DHA-SB-T-1217

    Mol. Formula:
    C65H87NO17

    M.W.:
    1154.40

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA98323

    Name:
    3-(4-fluoro-3-nitrophenyl)-1,2,3-oxadiazol-3-ium-5
    Show More

    Mol. Formula:
    C8H4FN3O4

    M.W.:
    225.13

    Type:
    Small molecule

    AlogP:
    0.07

    Polar Surface Area:
    96.11

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  12. ALA97909

    Name:
    3-[4-(diethylamino)-3-nitrophenyl]-1,2,3-oxadiazol
    Show More

    Mol. Formula:
    C12H14N4O4

    M.W.:
    278.27

    Type:
    Small molecule

    AlogP:
    0.78

    Polar Surface Area:
    99.35

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  13. ALA98684

    Name:
    3-[4-(2,3-dihydro-1H-indol-1-yl)-3-nitrophenyl]-1,
    Show More

    Mol. Formula:
    C16H12N4O4

    M.W.:
    324.30

    Type:
    Small molecule

    AlogP:
    1.63

    Polar Surface Area:
    99.35

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  14. ALA321573

    Name:
    3-[4-(1,3-dihydro-2H-isoindol-2-yl)-3-nitrophenyl]
    Show More

    Mol. Formula:
    C16H12N4O4

    M.W.:
    324.30

    Type:
    Small molecule

    AlogP:
    1.45

    Polar Surface Area:
    99.35

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  15. ALA317141

    Name:
    3-(4-azetidin-1-yl-3-nitrophenyl)-1,2,3-oxadiazol-
    Show More

    Mol. Formula:
    C11H10N4O4

    M.W.:
    262.23

    Type:
    Small molecule

    AlogP:
    0.14

    Polar Surface Area:
    99.35

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  16. ALA100094

    Name:
    3-(4-chloro-3-nitrophenyl)-1,2,3-oxadiazol-3-ium-5
    Show More

    Mol. Formula:
    C8H4ClN3O4

    M.W.:
    241.59

    Type:
    Small molecule

    AlogP:
    0.59

    Polar Surface Area:
    96.11

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  17. ALA291809

    Name:
    4-{1-Chloro-2-[4-(2-diethylamino-ethoxy)-phenyl]-2
    Show More

    Cas Number:
    117095-64-4

    Mol. Formula:
    C26H28ClNO2

    M.W.:
    421.97

    Type:
    Small molecule

    AlogP:
    6.27

    Polar Surface Area:
    32.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
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