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NCID-ZINC01600851

 MMsINC code: MMs02253921
Type: Neutral
Formula: C7H7O5P
SMILES:   P(O)(O)(=O)c1cc(ccc1)C(O)=O
InChI:   InChI=1/C7H7O5P/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=-23.8057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.102 g/mol  logS: -0.71428  SlogP: -0.8824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0522663  Sterimol/B1: 2.5569  Sterimol/B2: 2.98509  Sterimol/B3: 3.50992
  Sterimol/B4: 5.98963  Sterimol/L: 11.8614 
 
 Surface and Volume Properties
  Accessible surface: 363.686  Positive charged surface: 176.53  Negative charged surface: 187.155  Volume: 158.625
  Hydrophobic surface: 132.579  Hydrophilic surface: 231.107
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs02253922
NCID-ZINC01600851