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PUBCHEM-ZINC03130287

 MMsINC code: MMs02998386
Type: Neutral
Formula: C5H10Cl3O2PS
SMILES:   ClC(Cl)(Cl)P(=S)(OCC)OCC
InChI:   InChI=1/C5H10Cl3O2PS/c1-3-9-11(12,10-4-2)5(6,7)8/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=44.3194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.532 g/mol  logS: -3.9828  SlogP: 4.1165  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105781  Sterimol/B1: 2.3951  Sterimol/B2: 4.03763  Sterimol/B3: 4.82319
  Sterimol/B4: 6.10975  Sterimol/L: 12.2687 
 
 Surface and Volume Properties
  Accessible surface: 418.389  Positive charged surface: 166.031  Negative charged surface: 252.358  Volume: 205.375
  Hydrophobic surface: 164.887  Hydrophilic surface: 253.502
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.