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PUBCHEM-ZINC00273949

 MMsINC code: MMs02648866
Type: Neutral
Formula: C14H10Cl2N2O2
SMILES:   Clc1cc(Cl)ccc1\C=N\c1cccc([N+](=O)[O-])c1C
InChI:   InChI=1/C14H10Cl2N2O2/c1-9-13(3-2-4-14(9)18(19)20)17-8-10-5-6-11(15)7-12(10)16/h2-8H,1H3/b17-8+

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Potential Energy
Epot(MMFF94)=82.5109 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.152 g/mol  logS: -5.7289  SlogP: 4.96062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0433411  Sterimol/B1: 2.12398  Sterimol/B2: 2.45789  Sterimol/B3: 3.83867
  Sterimol/B4: 6.54308  Sterimol/L: 16.2126 
 
 Surface and Volume Properties
  Accessible surface: 495.508  Positive charged surface: 194.848  Negative charged surface: 300.661  Volume: 259.5
  Hydrophobic surface: 412.894  Hydrophilic surface: 82.614
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.