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  1. ALA4082420

    Name:
    (+)-(R)-Perhexiline

    Mol. Formula:
    C19H35N

    M.W.:
    277.50

    Type:
    Small molecule

    AlogP:
    5.30

    Polar Surface Area:
    12.03

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  2. cis-Hydroxy Perhexiline(Mixture of Diastereomers)

    Name:
    4-(1-Cyclohexyl-2-(piperidin-2-yl)ethyl)cyclohexanol

    Mol. Formula:
    C19H35NO

    M.W.:
    293.50

    Type:
    Small molecule

    AlogP:
    4.27

    Polar Surface Area:
    32.26

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  3. ALA2216767

    Name:
    Dinitrophenyl-etomoxir

    Mol. Formula:
    C15H18N2O8

    M.W.:
    354.31

    Type:
    Small molecule

    AlogP:
    2.69

    Polar Surface Area:
    145.34

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  4. malonyl-CoA

    Name:
    3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphoShow More

    Mol. Formula:
    C24H38N7O19P3S

    M.W.:
    853.59

    Type:
    Small molecule

    AlogP:
    -1.86

    Polar Surface Area:
    400.93

    HBA:
    20

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
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