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CHEMBRIDGE-ZINC00196702

 MMsINC code: MMs00594832
Type: Neutral
Formula: C14H21O3P
SMILES:   P(OCC)(=O)(C1(O)CCCCC1)c1ccccc1
InChI:   InChI=1/C14H21O3P/c1-2-17-18(16,13-9-5-3-6-10-13)14(15)11-7-4-8-12-14/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3/t18-/m1/s1

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Potential Energy
Epot(MMFF94)=55.2494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.293 g/mol  logS: -2.83245  SlogP: 2.209  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.220997  Sterimol/B1: 2.18093  Sterimol/B2: 3.5261  Sterimol/B3: 4.66089
  Sterimol/B4: 8.63542  Sterimol/L: 12.3841 
 
 Surface and Volume Properties
  Accessible surface: 494.926  Positive charged surface: 331.106  Negative charged surface: 163.82  Volume: 265.625
  Hydrophobic surface: 425.933  Hydrophilic surface: 68.993
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.