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PUBCHEM-ZINC05650805

 MMsINC code: MMs03337116
Type: Neutral
Formula: C11H17O3PS2
SMILES:   S(C)c1ccc(OP(=S)(OCC)OCC)cc1
InChI:   InChI=1/C11H17O3PS2/c1-4-12-15(16,13-5-2)14-10-6-8-11(17-3)9-7-10/h6-9H,4-5H2,1-3H3

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Potential Energy
Epot(MMFF94)=42.7038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.36 g/mol  logS: -4.49712  SlogP: 4.0848  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0525227  Sterimol/B1: 2.18834  Sterimol/B2: 3.3322  Sterimol/B3: 3.8017
  Sterimol/B4: 7.91469  Sterimol/L: 15.9814 
 
 Surface and Volume Properties
  Accessible surface: 517.787  Positive charged surface: 298.097  Negative charged surface: 219.689  Volume: 264.625
  Hydrophobic surface: 363.288  Hydrophilic surface: 154.499
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.