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NCID-ZINC01603540

 MMsINC code: MMs02256198
Type: Neutral
Formula: C10H15O2PS2
SMILES:   S(CCOP(=S)(OC)c1ccccc1)C
InChI:   InChI=1/C10H15O2PS2/c1-11-13(14,12-8-9-15-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/t13-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.782 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.334 g/mol  logS: -3.6804  SlogP: 2.6474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0896963  Sterimol/B1: 2.27211  Sterimol/B2: 2.28711  Sterimol/B3: 5.16064
  Sterimol/B4: 7.63923  Sterimol/L: 13.8583 
 
 Surface and Volume Properties
  Accessible surface: 485.688  Positive charged surface: 281.888  Negative charged surface: 203.8  Volume: 242
  Hydrophobic surface: 378.093  Hydrophilic surface: 107.595
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.