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ASINEX-ZINC00312247

 MMsINC code: MMs00116333
Type: Neutral
Formula: C15H10N2O2
SMILES:   OC(=O)c1cc(nc2c1cccc2)-c1ncccc1
InChI:   InChI=1/C15H10N2O2/c18-15(19)11-9-14(13-7-3-4-8-16-13)17-12-6-2-1-5-10(11)12/h1-9H,(H,18,19)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.8669 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.257 g/mol  logS: -3.04866  SlogP: 2.995  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000113322  Sterimol/B1: 2.10493  Sterimol/B2: 2.11049  Sterimol/B3: 3.66204
  Sterimol/B4: 7.00152  Sterimol/L: 14.1384 
 
 Surface and Volume Properties
  Accessible surface: 454.171  Positive charged surface: 260.452  Negative charged surface: 188.183  Volume: 233.125
  Hydrophobic surface: 335.479  Hydrophilic surface: 118.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs00116334
ASINEX-ZINC00312247