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PUBCHEM-ZINC05782748

 MMsINC code: MMs03384043
Type: Neutral
Formula: C11H9NO2
SMILES:   O=[N+]([O-])c1cc2c(cc1)cccc2C
InChI:   InChI=1/C11H9NO2/c1-8-3-2-4-9-5-6-10(12(13)14)7-11(8)9/h2-7H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.5209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.198 g/mol  logS: -4.52691  SlogP: 3.05642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0128763  Sterimol/B1: 1.969  Sterimol/B2: 2.10496  Sterimol/B3: 2.51235
  Sterimol/B4: 6.86615  Sterimol/L: 11.3633 
 
 Surface and Volume Properties
  Accessible surface: 370.002  Positive charged surface: 158.524  Negative charged surface: 200.856  Volume: 176.625
  Hydrophobic surface: 287.927  Hydrophilic surface: 82.075
 
 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.