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CHEMSTAR-ZINC00159358

 MMsINC code: MMs01073265
Type: Neutral
Formula: C13H11NO2
SMILES:   Oc1ccccc1\C=[N+](\[O-])/c1ccccc1
InChI:   InChI=1/C13H11NO2/c15-13-9-5-4-6-11(13)10-14(16)12-7-2-1-3-8-12/h1-10,15H/b14-10-

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Potential Energy
Epot(MMFF94)=87.4841 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.236 g/mol  logS: -3.28096  SlogP: 2.6531  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0137288  Sterimol/B1: 2.30316  Sterimol/B2: 3.02455  Sterimol/B3: 4.05432
  Sterimol/B4: 4.1752  Sterimol/L: 14.1532 
 
 Surface and Volume Properties
  Accessible surface: 429.921  Positive charged surface: 220.125  Negative charged surface: 209.796  Volume: 209.5
  Hydrophobic surface: 364.71  Hydrophilic surface: 65.211
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.