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PUBCHEM-ZINC01847596

 MMsINC code: MMs02824609
Type: Neutral
Formula: C10H12Cl2NO6P
SMILES:   ClCCOP(Oc1ccc([N+](=O)[O-])cc1)(OCCCl)=O
InChI:   InChI=1/C10H12Cl2NO6P/c11-5-7-17-20(16,18-8-6-12)19-10-3-1-9(2-4-10)13(14)15/h1-4H,5-8H2

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Potential Energy
Epot(MMFF94)=44.5034 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.087 g/mol  logS: -3.88881  SlogP: 2.5223  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0559108  Sterimol/B1: 3.07897  Sterimol/B2: 4.28426  Sterimol/B3: 4.87849
  Sterimol/B4: 4.96564  Sterimol/L: 15.1348 
 
 Surface and Volume Properties
  Accessible surface: 527.045  Positive charged surface: 224.332  Negative charged surface: 302.712  Volume: 265.375
  Hydrophobic surface: 270.686  Hydrophilic surface: 256.359
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.