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PUBCHEM-ZINC06093327

 MMsINC code: MMs03539567
Type: Neutral
Formula: C8H8Cl2NO4P
SMILES:   ClCP(Oc1ccc([N+](=O)[O-])cc1)(=O)CCl
InChI:   InChI=1/C8H8Cl2NO4P/c9-5-16(14,6-10)15-8-3-1-7(2-4-8)11(12)13/h1-4H,5-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.9848 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.035 g/mol  logS: -2.79069  SlogP: 2.5741  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0719116  Sterimol/B1: 2.6282  Sterimol/B2: 2.91862  Sterimol/B3: 3.06712
  Sterimol/B4: 5.83258  Sterimol/L: 13.7581 
 
 Surface and Volume Properties
  Accessible surface: 435.696  Positive charged surface: 154.34  Negative charged surface: 281.356  Volume: 213
  Hydrophobic surface: 203.267  Hydrophilic surface: 232.429
 
 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.