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NCID-ZINC01725239

MMsINC code: MMs02349085

Type: Neutral
Formula: C13H12N2O3
SMILES:   O(C(=O)c1n(ccc1)C(=O)c1ccccc1N)C
InChI:   InChI=1/C13H12N2O3/c1-18-13(17)11-7-4-8-15(11)12(16)9-5-2-3-6-10(9)14/h2-8H,14H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=79.2284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.25 g/mol  logS: -2.13285  SlogP: 1.5454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.298565  Sterimol/B1: 2.03813  Sterimol/B2: 2.8643  Sterimol/B3: 5.46968
  Sterimol/B4: 7.73561  Sterimol/L: 11.5674 
 
 Surface and Volume Properties
  Accessible surface: 439.803  Positive charged surface: 268.025  Negative charged surface: 171.778  Volume: 227.125
  Hydrophobic surface: 313.235  Hydrophilic surface: 126.568
 
 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.