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PUBCHEM-ZINC05650892

 MMsINC code: MMs03337191
Type: Neutral
Formula: C11H17O3PS2
SMILES:   S(=O)(C)c1ccc(OP(=S)(OCC)CC)cc1
InChI:   InChI=1/C11H17O3PS2/c1-4-13-15(16,5-2)14-10-6-8-11(9-7-10)17(3)12/h6-9H,4-5H2,1-3H3/t15-,17-/m0/s1

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Potential Energy
Epot(MMFF94)=51.4803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.36 g/mol  logS: -3.51133  SlogP: 3.1687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0467928  Sterimol/B1: 2.47829  Sterimol/B2: 2.82527  Sterimol/B3: 4.48476
  Sterimol/B4: 5.95369  Sterimol/L: 16.4204 
 
 Surface and Volume Properties
  Accessible surface: 501.953  Positive charged surface: 291.735  Negative charged surface: 210.218  Volume: 263.25
  Hydrophobic surface: 340.848  Hydrophilic surface: 161.105
 
 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.