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NCID-ZINC01603557

 MMsINC code: MMs02256212
Type: Neutral
Formula: C5H10Cl3O2PS3
SMILES:   ClC(Cl)(Cl)SSP(=S)(OCC)OCC
InChI:   InChI=1/C5H10Cl3O2PS3/c1-3-9-11(12,10-4-2)14-13-5(6,7)8/h3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=14.5175 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.664 g/mol  logS: -6.1904  SlogP: 5.4129  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0902251  Sterimol/B1: 2.23874  Sterimol/B2: 3.66989  Sterimol/B3: 4.92669
  Sterimol/B4: 9.49632  Sterimol/L: 13.4138 
 
 Surface and Volume Properties
  Accessible surface: 501.072  Positive charged surface: 183.356  Negative charged surface: 317.715  Volume: 244.875
  Hydrophobic surface: 180.982  Hydrophilic surface: 320.09
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.