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ACROSORGANICS-ZINC00331636

 MMsINC code: MMs00006689
Type: Neutral
Formula: C6H4ClNO2
SMILES:   Clc1ccccc1[N+](=O)[O-]
InChI:   InChI=1/C6H4ClNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=42.0822 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.556 g/mol  logS: -2.9094  SlogP: 2.2482  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.00007e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.0989  Sterimol/B3: 2.55268
  Sterimol/B4: 5.7756  Sterimol/L: 9.28931 
 
 Surface and Volume Properties
  Accessible surface: 298.933  Positive charged surface: 98.2782  Negative charged surface: 200.655  Volume: 124.75
  Hydrophobic surface: 225.714  Hydrophilic surface: 73.219
 
 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.