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PUBCHEM-ZINC00200805

 MMsINC code: MMs02638802
Type: Ionized
Formula: C9H10O4P-
SMILES:   P(OC)(=O)(CC(=O)[O-])c1ccccc1
InChI:   InChI=1/C9H11O4P/c1-13-14(12,7-9(10)11)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,11)/p-1/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=4.03655 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.149 g/mol  logS: -1.43697  SlogP: -1.0839  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.171522  Sterimol/B1: 2.25832  Sterimol/B2: 2.71559  Sterimol/B3: 4.19525
  Sterimol/B4: 5.96968  Sterimol/L: 11.7894 
 
 Surface and Volume Properties
  Accessible surface: 392.119  Positive charged surface: 215.677  Negative charged surface: 176.442  Volume: 186.625
  Hydrophobic surface: 280.998  Hydrophilic surface: 111.121
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 1
 
 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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Parent related molecule:


MMs02638801
PUBCHEM-ZINC00200805