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CHEMBRIDGE-ZINC01065438

 MMsINC code: MMs00656902
Type: Neutral
Formula: C25H18N2O3
SMILES:   o1c2c(nc1-c1ccc(NC(=O)c3c4c(ccc3)cccc4)cc1)cc(OC)cc2
InChI:   InChI=1/C25H18N2O3/c1-29-19-13-14-23-22(15-19)27-25(30-23)17-9-11-18(12-10-17)26-24(28)21-8-4-6-16-5-2-3-7-20(16)21/h2-15H,1H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=128.976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.43 g/mol  logS: -8.5988  SlogP: 5.9089  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00579268  Sterimol/B1: 2.61709  Sterimol/B2: 2.81808  Sterimol/B3: 4.19903
  Sterimol/B4: 5.74465  Sterimol/L: 22.5886 
 
 Surface and Volume Properties
  Accessible surface: 674.874  Positive charged surface: 394.832  Negative charged surface: 269.029  Volume: 374.125
  Hydrophobic surface: 598.844  Hydrophilic surface: 76.03
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.