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PUBCHEM-ZINC05998060

 MMsINC code: MMs03482092
Type: Neutral
Formula: C9H13O3PS2
SMILES:   S(C)c1ccc(OP(=S)(OC)OC)cc1
InChI:   InChI=1/C9H13O3PS2/c1-10-13(14,11-2)12-8-4-6-9(15-3)7-5-8/h4-7H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.306 g/mol  logS: -3.8427  SlogP: 3.3046  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.057162  Sterimol/B1: 2.52508  Sterimol/B2: 3.19009  Sterimol/B3: 3.72664
  Sterimol/B4: 6.42836  Sterimol/L: 14.6906 
 
 Surface and Volume Properties
  Accessible surface: 454.172  Positive charged surface: 272.782  Negative charged surface: 181.39  Volume: 230.125
  Hydrophobic surface: 340.82  Hydrophilic surface: 113.352
 
 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.