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ACROSORGANICS-ZINC02034680

 MMsINC code: MMs00012549
Type: Neutral
Formula: C10H7NO2
SMILES:   O=[N+]([O-])c1cc2c(cc1)cccc2
InChI:   InChI=1/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.344 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 173.171 g/mol  logS: -4.05299  SlogP: 2.748  Reactive groups: 0
 
 Topological Properties
  Globularity: 2.30241e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.0984  Sterimol/B3: 3.92368
  Sterimol/B4: 4.38275  Sterimol/L: 11.5968 
 
 Surface and Volume Properties
  Accessible surface: 352.053  Positive charged surface: 138.588  Negative charged surface: 202.394  Volume: 159.125
  Hydrophobic surface: 270.063  Hydrophilic surface: 81.99
 
 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.