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NCID-ZINC01694644

 MMsINC code: MMs02325810
Type: Neutral
Formula: C6H2Cl2N2O4
SMILES:   Clc1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-]
InChI:   InChI=1/C6H2Cl2N2O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=60.8996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.998 g/mol  logS: -4.43392  SlogP: 2.8098  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.63788e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09889  Sterimol/B3: 4.47069
  Sterimol/B4: 5.85502  Sterimol/L: 10.6897 
 
 Surface and Volume Properties
  Accessible surface: 350.779  Positive charged surface: 67.1549  Negative charged surface: 283.625  Volume: 157.25
  Hydrophobic surface: 204.362  Hydrophilic surface: 146.417
 
 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.