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  1. ALA4096763

    Name:
    Thiamet G

    Mol. Formula:
    C9H16N2O4S

    M.W.:
    248.30

    Type:
    Small molecule

    AlogP:
    -1.49

    Polar Surface Area:
    94.31

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  2. ALA4092376

    Name:
    Dyphylline

    Mol. Formula:
    C9H12N4O4

    M.W.:
    240.22

    Type:
    Small molecule

    AlogP:
    -2.22

    Polar Surface Area:
    113.14

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  3. ALA4076068

    Name:
    (R)-8-(chroman-4-ylamino)-N-(2-hydroxyethyl)-N,2-dimethylimidazo[1,2-a]pyriShow More

    Mol. Formula:
    C21H24N4O3

    M.W.:
    380.45

    Type:
    Small molecule

    AlogP:
    2.64

    Polar Surface Area:
    79.10

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  4. Dexrazoxane HCl (ICRF-187, ADR-529)

    Name:
    DEXRAZOXANE HYDROCHLORIDE

    Mol. Formula:
    C11H17ClN4O4

    M.W.:
    304.73

    Type:
    Small molecule

    AlogP:
    -2.71

    Polar Surface Area:
    98.82

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  5. ALA1200470

    Name:
    ESOMEPRAZOLE SODIUM

    Mol. Formula:
    C17H18N3NaO3S

    M.W.:
    367.41

    Type:
    Small molecule

    AlogP:
    2.90

    Polar Surface Area:
    83.09

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  6. ALA259756

    Name:
    Man9GlcNAc-thiazoline

    Mol. Formula:
    C62H103NO49S

    M.W.:
    1678.53

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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