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ACROSORGANICS-ZINC00896426

 MMsINC code: MMs00008200
Type: Neutral
Formula: C6H5NO2
SMILES:   O=[N+]([O-])c1ccccc1
InChI:   InChI=1/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.2219 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 123.111 g/mol  logS: -2.17511  SlogP: 1.5948  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.61218e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09875  Sterimol/B3: 3.61731
  Sterimol/B4: 3.61751  Sterimol/L: 9.22847 
 
 Surface and Volume Properties
  Accessible surface: 281.933  Positive charged surface: 110.195  Negative charged surface: 171.738  Volume: 109
  Hydrophobic surface: 198.914  Hydrophilic surface: 83.019
 
 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.