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ACROSORGANICS-ZINC00122186

 MMsINC code: MMs00004299
Type: Neutral
Formula: C7H5Cl2NO2
SMILES:   Clc1c(C)c(Cl)ccc1[N+](=O)[O-]
InChI:   InChI=1/C7H5Cl2NO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.6574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.028 g/mol  logS: -3.80416  SlogP: 3.21002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0219101  Sterimol/B1: 2.10276  Sterimol/B2: 2.51216  Sterimol/B3: 3.7551
  Sterimol/B4: 5.35518  Sterimol/L: 10.0913 
 
 Surface and Volume Properties
  Accessible surface: 338.407  Positive charged surface: 103.377  Negative charged surface: 235.03  Volume: 156.375
  Hydrophobic surface: 264.82  Hydrophilic surface: 73.587
 
 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.