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NCID-ZINC01749498

 MMsINC code: MMs02361725
Type: Neutral
Formula: C16H11Cl2NO2
SMILES:   Clc1cccc(Cl)c1\C=C\C=C\c1cc([N+](=O)[O-])ccc1
InChI:   InChI=1/C16H11Cl2NO2/c17-15-9-4-10-16(18)14(15)8-2-1-5-12-6-3-7-13(11-12)19(20)21/h1-11H/b5-1+,8-2+

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Potential Energy
Epot(MMFF94)=103.613 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.175 g/mol  logS: -7.33714  SlogP: 5.6282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0223695  Sterimol/B1: 2.89956  Sterimol/B2: 3.2433  Sterimol/B3: 3.9019
  Sterimol/B4: 6.12784  Sterimol/L: 17.7378 
 
 Surface and Volume Properties
  Accessible surface: 543.943  Positive charged surface: 190.078  Negative charged surface: 353.865  Volume: 280.375
  Hydrophobic surface: 457.352  Hydrophilic surface: 86.591
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.