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IBS-ZINC01870067

 MMsINC code: MMs01779280
Type: Neutral
Formula: C14H23O6P
SMILES:   P(OCC)(OCC)(=O)Cc1c(C(OCC)=O)c(oc1C)C
InChI:   InChI=1/C14H23O6P/c1-6-17-14(15)13-11(5)20-10(4)12(13)9-21(16,18-7-2)19-8-3/h6-9H2,1-5H3

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Potential Energy
Epot(MMFF94)=42.2067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.306 g/mol  logS: -2.96807  SlogP: 3.03544  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117829  Sterimol/B1: 3.39197  Sterimol/B2: 3.83786  Sterimol/B3: 3.96694
  Sterimol/B4: 7.9757  Sterimol/L: 14.0978 
 
 Surface and Volume Properties
  Accessible surface: 596  Positive charged surface: 404.468  Negative charged surface: 191.532  Volume: 303.875
  Hydrophobic surface: 469.573  Hydrophilic surface: 126.427
 
 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.