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  1. ALA4640867

    Name:
    Amorphigenol

    Mol. Formula:
    C23H24O8

    M.W.:
    428.44

    Type:
    Unknown

    AlogP:
    1.87

    Polar Surface Area:
    103.68

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  2. ALA4638617

    Name:
    Dihydroamorphigenin

    Mol. Formula:
    C23H24O7

    M.W.:
    412.44

    Type:
    Unknown

    AlogP:
    2.76

    Polar Surface Area:
    83.45

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  3. ALA4248105

    Name:
    5-(1-(4-Chlorobenzyl)-2-methyl-1H-indol-3-yl)-3-(pyridin-4-yl)-4,5-dihydroiShow More

    Mol. Formula:
    C24H20ClN3O

    M.W.:
    401.90

    Type:
    Small molecule

    AlogP:
    5.91

    Polar Surface Area:
    39.41

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  4. ALA4244687

    Name:
    5-(6-Methoxy-1H-indol-3-yl)-3-(pyridin-4-yl)-4,5-dihydroisoxazole

    Mol. Formula:
    C17H15N3O2

    M.W.:
    293.33

    Type:
    Small molecule

    AlogP:
    3.44

    Polar Surface Area:
    59.50

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  5. ALA220666

    Name:
    5-beta-fluoroethylaminocamptothecin

    Mol. Formula:
    C22H20FN3O4

    M.W.:
    409.42

    Type:
    Small molecule

    AlogP:
    2.46

    Polar Surface Area:
    93.45

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  6. ALA219664

    Name:
    5-propylaminocamptothecin

    Mol. Formula:
    C23H23N3O4

    M.W.:
    405.45

    Type:
    Small molecule

    AlogP:
    2.90

    Polar Surface Area:
    93.45

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  7. ALA374045

    Name:
    5-m-fluorobenzylaminocamptothecin

    Mol. Formula:
    C27H22FN3O4

    M.W.:
    471.49

    Type:
    Small molecule

    AlogP:
    3.83

    Polar Surface Area:
    93.45

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  8. ALA375613

    Name:
    5-p-fluorobenzylaminocamptothecin

    Mol. Formula:
    C27H22FN3O4

    M.W.:
    471.49

    Type:
    Small molecule

    AlogP:
    3.83

    Polar Surface Area:
    93.45

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  9. ALA376525

    Name:
    5-p-methoxybenzylaminocamptothecin

    Mol. Formula:
    C28H25N3O5

    M.W.:
    483.52

    Type:
    Small molecule

    AlogP:
    3.70

    Polar Surface Area:
    102.68

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  10. ALA223415

    Name:
    nexaver

    Mol. Formula:
    C22H17ClF3N3O3

    M.W.:
    463.84

    Type:
    Small molecule

    AlogP:
    6.78

    Polar Surface Area:
    80.32

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
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