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NCID-ZINC01614263

 MMsINC code: MMs02264166
Type: Neutral
Formula: C11H10N2O3
SMILES:   O(C(=O)c1n(ccc1)C(=O)n1cccc1)C
InChI:   InChI=1/C11H10N2O3/c1-16-10(14)9-5-4-8-13(9)11(15)12-6-2-3-7-12/h2-8H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.3413 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.212 g/mol  logS: -0.8316  SlogP: 1.5926  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.212984  Sterimol/B1: 2.28192  Sterimol/B2: 3.5692  Sterimol/B3: 4.39986
  Sterimol/B4: 7.13854  Sterimol/L: 11.4222 
 
 Surface and Volume Properties
  Accessible surface: 405.019  Positive charged surface: 223.349  Negative charged surface: 181.67  Volume: 202.875
  Hydrophobic surface: 293.017  Hydrophilic surface: 112.002
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.