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PUBCHEM-ZINC02045547

 MMsINC code: MMs02864694
Type: Neutral
Formula: C5H11O4P
SMILES:   P(OC)(OC)(=O)C(O)C=C
InChI:   InChI=1/C5H11O4P/c1-4-5(6)10(7,8-2)9-3/h4-6H,1H2,2-3H3/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=43.6114 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.113 g/mol  logS: 0.2142  SlogP: -0.0935  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124023  Sterimol/B1: 2.50051  Sterimol/B2: 3.06139  Sterimol/B3: 3.32017
  Sterimol/B4: 5.97723  Sterimol/L: 10.3096 
 
 Surface and Volume Properties
  Accessible surface: 351.232  Positive charged surface: 251.498  Negative charged surface: 99.7337  Volume: 149.125
  Hydrophobic surface: 224.235  Hydrophilic surface: 126.997
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.