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IBS-ZINC02227587

MMsINC code: MMs01809094

Type: Neutral
Formula: C20H14N2O2
SMILES:   Oc1ccccc1C1=Nc2c(cccc2)C(=O)N1c1ccccc1
InChI:   InChI=1/C20H14N2O2/c23-18-13-7-5-11-16(18)19-21-17-12-6-4-10-15(17)20(24)22(19)14-8-2-1-3-9-14/h1-13,23H

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=113.058 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.344 g/mol  logS: -5.31527  SlogP: 4.1309  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119808  Sterimol/B1: 2.49629  Sterimol/B2: 3.26301  Sterimol/B3: 4.57184
  Sterimol/B4: 8.05444  Sterimol/L: 13.3418 
 
 Surface and Volume Properties
  Accessible surface: 525.34  Positive charged surface: 309.691  Negative charged surface: 215.649  Volume: 297.625
  Hydrophobic surface: 457.006  Hydrophilic surface: 68.334
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.