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IBS-ZINC02342007

 MMsINC code: MMs01837615
Type: Neutral
Formula: C13H23O5P
SMILES:   P(OCC)(OCC)(=O)Cc1oc(cc1)COCCC
InChI:   InChI=1/C13H23O5P/c1-4-9-15-10-12-7-8-13(18-12)11-19(14,16-5-2)17-6-3/h7-8H,4-6,9-11H2,1-3H3

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Potential Energy
Epot(MMFF94)=28.0332 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.296 g/mol  logS: -2.58337  SlogP: 3.4349  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0541992  Sterimol/B1: 2.74781  Sterimol/B2: 4.7893  Sterimol/B3: 4.98895
  Sterimol/B4: 5.12069  Sterimol/L: 18.7433 
 
 Surface and Volume Properties
  Accessible surface: 593.582  Positive charged surface: 429.087  Negative charged surface: 164.496  Volume: 285.125
  Hydrophobic surface: 468.305  Hydrophilic surface: 125.277
 
 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.