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ASINEX-ZINC00240455

MMsINC code: MMs00097039

Type: Neutral
Formula: C15H13NO3
SMILES:   OC(=O)c1ccccc1C(=O)Nc1ccccc1C
InChI:   InChI=1/C15H13NO3/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=77.286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.273 g/mol  logS: -3.48474  SlogP: 2.94552  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.028735  Sterimol/B1: 2.30503  Sterimol/B2: 2.56428  Sterimol/B3: 3.55263
  Sterimol/B4: 7.3908  Sterimol/L: 13.8881 
 
 Surface and Volume Properties
  Accessible surface: 463.522  Positive charged surface: 261.86  Negative charged surface: 201.662  Volume: 241.75
  Hydrophobic surface: 357.298  Hydrophilic surface: 106.224
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00097040
ASINEX-ZINC00240455