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PUBCHEM-ZINC00339720

 MMsINC code: MMs02658955
Type: Neutral
Formula: C11H12N2O3
SMILES:   O(N=C1CCCC1)c1ccc([N+](=O)[O-])cc1
InChI:   InChI=1/C11H12N2O3/c14-13(15)10-5-7-11(8-6-10)16-12-9-3-1-2-4-9/h5-8H,1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.597 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.228 g/mol  logS: -2.98822  SlogP: 2.9036  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0633065  Sterimol/B1: 2.42765  Sterimol/B2: 3.31183  Sterimol/B3: 3.44802
  Sterimol/B4: 4.78767  Sterimol/L: 14.6122 
 
 Surface and Volume Properties
  Accessible surface: 450.578  Positive charged surface: 254.933  Negative charged surface: 195.645  Volume: 203
  Hydrophobic surface: 351.956  Hydrophilic surface: 98.622
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.