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PUBCHEM-ZINC02019465

 MMsINC code: MMs02855093
Type: Neutral
Formula: C12H6Cl2FNO3
SMILES:   Clc1cc(Cl)cc(F)c1Oc1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C12H6Cl2FNO3/c13-7-5-10(14)12(11(15)6-7)19-9-3-1-8(2-4-9)16(17)18/h1-6H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.5528 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.088 g/mol  logS: -5.72138  SlogP: 4.833  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118332  Sterimol/B1: 3.24948  Sterimol/B2: 3.86282  Sterimol/B3: 4.73916
  Sterimol/B4: 5.13942  Sterimol/L: 14.7336 
 
 Surface and Volume Properties
  Accessible surface: 464.263  Positive charged surface: 133.782  Negative charged surface: 330.48  Volume: 227.5
  Hydrophobic surface: 381.393  Hydrophilic surface: 82.87
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.