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PUBCHEM-ZINC06379839

 MMsINC code: MMs03693188
Type: Neutral
Formula: C13H19O6P
SMILES:   P(OC)(OC)(=O)Cc1oc2c(CCCC2)c1C(OC)=O
InChI:   InChI=1/C13H19O6P/c1-16-13(14)12-9-6-4-5-7-10(9)19-11(12)8-20(15,17-2)18-3/h4-8H2,1-3H3

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Potential Energy
Epot(MMFF94)=49.5145 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.263 g/mol  logS: -2.60139  SlogP: 2.12704  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0910398  Sterimol/B1: 2.27273  Sterimol/B2: 3.19094  Sterimol/B3: 4.02178
  Sterimol/B4: 9.64417  Sterimol/L: 14.3484 
 
 Surface and Volume Properties
  Accessible surface: 534.679  Positive charged surface: 436.801  Negative charged surface: 97.8776  Volume: 272.375
  Hydrophobic surface: 470.627  Hydrophilic surface: 64.052
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.