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PUBCHEM-ZINC02033752

 MMsINC code: MMs02860174
Type: Neutral
Formula: C15H25O3P
SMILES:   P(OCC)(OCC)(=O)C(CCCC)c1ccccc1
InChI:   InChI=1/C15H25O3P/c1-4-7-13-15(14-11-9-8-10-12-14)19(16,17-5-2)18-6-3/h8-12,15H,4-7,13H2,1-3H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=43.9605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.336 g/mol  logS: -3.59312  SlogP: 4.2093  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118748  Sterimol/B1: 2.91429  Sterimol/B2: 3.41357  Sterimol/B3: 3.97765
  Sterimol/B4: 8.37799  Sterimol/L: 13.5064 
 
 Surface and Volume Properties
  Accessible surface: 546.26  Positive charged surface: 382.992  Negative charged surface: 163.268  Volume: 295.875
  Hydrophobic surface: 460.538  Hydrophilic surface: 85.722
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.