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PUBCHEM-ZINC06270357

 MMsINC code: MMs03650941
Type: Neutral
Formula: C7H5Cl2NO2
SMILES:   Clc1cc(ccc1Cl)C(=O)NO
InChI:   InChI=1/C7H5Cl2NO2/c8-5-2-1-4(3-6(5)9)7(11)10-12/h1-3,12H,(H,10,11)

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Potential Energy
Epot(MMFF94)=55.5859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.028 g/mol  logS: -2.90897  SlogP: 2.1124  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.89273e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.0985  Sterimol/B3: 2.52209
  Sterimol/B4: 6.37388  Sterimol/L: 12.0644 
 
 Surface and Volume Properties
  Accessible surface: 353.475  Positive charged surface: 122.502  Negative charged surface: 230.973  Volume: 160.25
  Hydrophobic surface: 233.419  Hydrophilic surface: 120.056
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.