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  1. ALA3427636

    Name:
    (4S)-4-((2S)-2-acetamido-6-(5-((4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidShow More

    Mol. Formula:
    C69H105N18O25PS

    M.W.:
    1649.74

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA1627241

    Name:
    2-(S-methylsulfonimidoyl)ethylphosphonic acid

    Mol. Formula:
    C3H10NO4PS

    M.W.:
    187.16

    Type:
    Small molecule

    AlogP:
    -0.16

    Polar Surface Area:
    104.44

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  3. ALA1254362

    Name:
    2-amino-3-(5-oxo-5H-benzo[a]phenoxazin-10-yl)propanoic acid

    Mol. Formula:
    C19H14N2O4

    M.W.:
    334.33

    Type:
    Small molecule

    AlogP:
    2.40

    Polar Surface Area:
    106.42

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  4. ALA1254361

    Name:
    6,6'-di(naphthalen-2-yl)-4,4'-bipyrimidine-2,2'-diamine

    Mol. Formula:
    C28H20N6

    M.W.:
    440.51

    Type:
    Small molecule

    AlogP:
    5.74

    Polar Surface Area:
    103.60

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  5. ALA1253345

    Name:
    amino(1H-indol-3-yl)methylphosphonic acid

    Mol. Formula:
    C9H11N2O3P

    M.W.:
    226.17

    Type:
    Small molecule

    AlogP:
    1.30

    Polar Surface Area:
    99.34

    HBA:
    2

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  6. ALA1253343

    Name:
    2-aminocyclohexylphosphonic acid

    Mol. Formula:
    C6H14NO3P

    M.W.:
    179.16

    Type:
    Small molecule

    AlogP:
    0.43

    Polar Surface Area:
    83.55

    HBA:
    2

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  7. ALA1253342

    Name:
    8-phenyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid

    Mol. Formula:
    C14H18N2O2S

    M.W.:
    278.38

    Type:
    Small molecule

    AlogP:
    1.77

    Polar Surface Area:
    52.57

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
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