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PHARMEK-ZINC01874311

 MMsINC code: MMs02623658
Type: Neutral
Formula: C15H25O5P
SMILES:   P(OCC)(OCC)(=O)Cc1c(C(=O)CCC)c(oc1C)C
InChI:   InChI=1/C15H25O5P/c1-6-9-14(16)15-12(5)20-11(4)13(15)10-21(17,18-7-2)19-8-3/h6-10H2,1-5H3

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Potential Energy
Epot(MMFF94)=41.1595 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.334 g/mol  logS: -3.28839  SlogP: 3.84154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.263131  Sterimol/B1: 2.39234  Sterimol/B2: 2.51431  Sterimol/B3: 6.81938
  Sterimol/B4: 9.54346  Sterimol/L: 14.0671 
 
 Surface and Volume Properties
  Accessible surface: 582.803  Positive charged surface: 404.526  Negative charged surface: 178.277  Volume: 312.75
  Hydrophobic surface: 478.386  Hydrophilic surface: 104.417
 
 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.