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PUBCHEM-ZINC00809221

 MMsINC code: MMs02738575
Type: Neutral
Formula: C25H18N2O3
SMILES:   o1c2c(nc1-c1cc(OC)ccc1)cc(NC(=O)c1c3c(ccc1)cccc3)cc2
InChI:   InChI=1/C25H18N2O3/c1-29-19-9-4-8-17(14-19)25-27-22-15-18(12-13-23(22)30-25)26-24(28)21-11-5-7-16-6-2-3-10-20(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)=127.361 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: 0.00893728  Sterimol/B1: 2.69702  Sterimol/B2: 3.15427  Sterimol/B3: 3.6984
  Sterimol/B4: 6.27978  Sterimol/L: 22.1993 
 
 Surface and Volume Properties
  Accessible surface: 676.738  Positive charged surface: 399.42  Negative charged surface: 266.669  Volume: 375.875
  Hydrophobic surface: 598.864  Hydrophilic surface: 77.874
 
 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.