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PUBCHEM-ZINC01530378

 MMsINC code: MMs02813309
Type: Neutral
Formula: C7H7O5P
SMILES:   P(OC(=O)c1ccccc1)(O)(O)=O
InChI:   InChI=1/C7H7O5P/c8-7(12-13(9,10)11)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)

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Potential Energy
Epot(MMFF94)=-45.0793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.102 g/mol  logS: -1.20901  SlogP: -0.1341  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0437903  Sterimol/B1: 3.15459  Sterimol/B2: 3.29567  Sterimol/B3: 3.52819
  Sterimol/B4: 4.16289  Sterimol/L: 12.3159 
 
 Surface and Volume Properties
  Accessible surface: 374.598  Positive charged surface: 177.474  Negative charged surface: 197.124  Volume: 157.875
  Hydrophobic surface: 195.185  Hydrophilic surface: 179.413
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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: no related molecules available.