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PUBCHEM-ZINC04583020

 MMsINC code: MMs03137631
Type: Neutral
Formula: C7H9O4P
SMILES:   P(O)(O)(=O)C(O)c1ccccc1
InChI:   InChI=1/C7H9O4P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7-8H,(H2,9,10,11)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=15.5521 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.119 g/mol  logS: -0.36711  SlogP: -0.1195  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133572  Sterimol/B1: 2.86904  Sterimol/B2: 3.59325  Sterimol/B3: 3.8176
  Sterimol/B4: 3.82099  Sterimol/L: 11.1276 
 
 Surface and Volume Properties
  Accessible surface: 351.283  Positive charged surface: 174.346  Negative charged surface: 176.937  Volume: 156.5
  Hydrophobic surface: 188.828  Hydrophilic surface: 162.455
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.