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PUBCHEM-ZINC01658423

MMsINC code: MMs02818125

Type: Neutral
Formula: C24H16N2O2
SMILES:   o1c(ccc1-c1ccncc1)-c1ccc(cc1)-c1oc(cc1)-c1ccncc1
InChI:   InChI=1/C24H16N2O2/c1-2-18(22-6-8-24(28-22)20-11-15-26-16-12-20)4-3-17(1)21-5-7-23(27-21)19-9-13-25-14-10-19/h1-16H

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=85.3533 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.404 g/mol  logS: -7.64662  SlogP: 6.3306  Reactive groups: 0
 
 Topological Properties
  Globularity: 3.03242e-07  Sterimol/B1: 2.10187  Sterimol/B2: 2.1021  Sterimol/B3: 4.84264
  Sterimol/B4: 5.15688  Sterimol/L: 21.931 
 
 Surface and Volume Properties
  Accessible surface: 651.923  Positive charged surface: 409.185  Negative charged surface: 242.738  Volume: 358.75
  Hydrophobic surface: 613.009  Hydrophilic surface: 38.914
 
 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: 1  Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.