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  1. ALA4456642

    Name:
    rac-(1-(4-((4-Methoxybenzyl)amino)quinazolin-2-yl)piperidin-2-yl)-methanol

    Mol. Formula:
    C22H26N4O2

    M.W.:
    378.48

    Type:
    Unknown

    AlogP:
    3.60

    Polar Surface Area:
    70.51

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  2. CHIR-99021

    Name:
    6-(2-(4-(2,4-dichlorophenyl)-5-(4-methyl-1H-imidazol-2-yl)pyrimidin-2-ylamiShow More

    Mol. Formula:
    C22H18Cl2N8

    M.W.:
    465.35

    Type:
    Small molecule

    AlogP:
    4.94

    Polar Surface Area:
    115.20

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  3. ALA425784

    Name:
    R/S-6-bromo-4-(4-chlorophenylaminocarbonylamino)-3,4-dihydro-2,2-dimethyl-2Show More

    Mol. Formula:
    C18H18BrClN2O2

    M.W.:
    409.71

    Type:
    Small molecule

    AlogP:
    5.53

    Polar Surface Area:
    50.36

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  4. ALA213706

    Name:
    R/S-6-chloro-4-(4-chlorophenylaminocarbonylamino)-3,4-dihydro-2,2-dimethyl-Show More

    Mol. Formula:
    C18H18Cl2N2O2

    M.W.:
    365.26

    Type:
    Small molecule

    AlogP:
    5.42

    Polar Surface Area:
    50.36

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  5. ALA373788

    Name:
    R/S-4-(4-chlorophenylaminocarbonylamino)-3,4-dihydro-2,2-dimethyl-6-fluoro-Show More

    Mol. Formula:
    C18H18ClFN2O2

    M.W.:
    348.81

    Type:
    Small molecule

    AlogP:
    4.90

    Polar Surface Area:
    50.36

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  6. ALA209643

    Name:
    R/S-6-bromo-4-(3-chlorophenylaminocarbonylamino)-3,4-dihydro-2,2-dimethyl-2Show More

    Mol. Formula:
    C18H18BrClN2O2

    M.W.:
    409.71

    Type:
    Small molecule

    AlogP:
    5.53

    Polar Surface Area:
    50.36

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  7. ALA377467

    Name:
    R/S-6-chloro-4-(3-chlorophenylaminocarbonylamino)-3,4-dihydro-2,2-dimethyl-Show More

    Mol. Formula:
    C18H18Cl2N2O2

    M.W.:
    365.26

    Type:
    Small molecule

    AlogP:
    5.42

    Polar Surface Area:
    50.36

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  8. ALA378033

    Name:
    R/S-4-(3-chlorophenylaminocarbonylamino)-3,4-dihydro-2,2-dimethyl-6-fluoro-Show More

    Mol. Formula:
    C18H18ClFN2O2

    M.W.:
    348.81

    Type:
    Small molecule

    AlogP:
    4.90

    Polar Surface Area:
    50.36

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
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