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PUBCHEM-ZINC03130293

 MMsINC code: MMs02998390
Type: Neutral
Formula: C5H11Cl2O2PS
SMILES:   ClC(Cl)P(=S)(OCC)OCC
InChI:   InChI=1/C5H11Cl2O2PS/c1-3-8-10(11,5(6)7)9-4-2/h5H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.1394 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.087 g/mol  logS: -2.48613  SlogP: 3.55  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106694  Sterimol/B1: 2.31197  Sterimol/B2: 3.98648  Sterimol/B3: 4.85581
  Sterimol/B4: 6.00607  Sterimol/L: 12.2677 
 
 Surface and Volume Properties
  Accessible surface: 406.854  Positive charged surface: 187.254  Negative charged surface: 219.6  Volume: 188.625
  Hydrophobic surface: 185.27  Hydrophilic surface: 221.584
 
 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.