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Compounds

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  1. ALA505661

    Name:
    Thidiazuron

    Mol. Formula:
    C9H8N4OS

    M.W.:
    220.26

    16  activity values

    15   unique targets

    Type:
    Small molecule

    AlogP:
    2.18

    Polar Surface Area:
    66.91

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  2. ALA483378

    Name:
    2-Fluoro-6-(3-methoxyanilino)purine

    Mol. Formula:
    C12H10FN5O

    M.W.:
    259.24

    6  activity values

    6   unique targets

    Type:
    Small molecule

    AlogP:
    2.24

    Polar Surface Area:
    75.72

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  3. ALA484385

    Name:
    N-(3-methoxyphenyl)-9H-purin-6-amine

    Mol. Formula:
    C12H11N5O

    M.W.:
    241.25

    40  activity values

    29   unique targets

    Type:
    Small molecule

    AlogP:
    2.11

    Polar Surface Area:
    75.72

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  4. ALA484383

    Name:
    2-Chloro-6-(3-methoxyanilino)purine

    Mol. Formula:
    C12H10ClN5O

    M.W.:
    275.70

    6  activity values

    6   unique targets

    Type:
    Small molecule

    AlogP:
    2.76

    Polar Surface Area:
    75.72

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  5. ALA484374

    Name:
    4-(2-chloro-9H-purin-6-ylamino)phenol

    Mol. Formula:
    C11H8ClN5O

    M.W.:
    261.67

    6  activity values

    6   unique targets

    Type:
    Small molecule

    AlogP:
    2.46

    Polar Surface Area:
    86.72

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  6. ALA484373

    Name:
    3-(2-chloro-9H-purin-6-ylamino)phenol

    Mol. Formula:
    C11H8ClN5O

    M.W.:
    261.67

    6  activity values

    6   unique targets

    Type:
    Small molecule

    AlogP:
    2.46

    Polar Surface Area:
    86.72

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  7. ALA485562

    Name:
    2-(2-chloro-9H-purin-6-ylamino)phenol

    Mol. Formula:
    C11H8ClN5O

    M.W.:
    261.67

    6  activity values

    6   unique targets

    Type:
    Small molecule

    AlogP:
    2.46

    Polar Surface Area:
    86.72

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  8. ALA520191

    Name:
    2-chloro-N-(3-fluorophenyl)-9H-purin-6-amine

    Mol. Formula:
    C11H7ClFN5

    M.W.:
    263.66

    6  activity values

    6   unique targets

    Type:
    Small molecule

    AlogP:
    2.89

    Polar Surface Area:
    66.49

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  9. ALA448763

    Name:
    2-Chloro-6-(4-chloroanilino)purine

    Mol. Formula:
    C11H7Cl2N5

    M.W.:
    280.12

    6  activity values

    6   unique targets

    Type:
    Small molecule

    AlogP:
    3.40

    Polar Surface Area:
    66.49

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  10. ALA454726

    Name:
    2-chloro-N-(3-chlorophenyl)-9H-purin-6-amine

    Mol. Formula:
    C11H7Cl2N5

    M.W.:
    280.12

    6  activity values

    6   unique targets

    Type:
    Small molecule

    AlogP:
    3.40

    Polar Surface Area:
    66.49

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
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