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PUBCHEM-ZINC06357100

 MMsINC code: MMs03683427
Type: Neutral
Formula: C22H19NO2
SMILES:   Oc1ccc(cc1\C=N\c1cc(ccc1)C(=O)C)Cc1ccccc1
InChI:   InChI=1/C22H19NO2/c1-16(24)19-8-5-9-21(14-19)23-15-20-13-18(10-11-22(20)25)12-17-6-3-2-4-7-17/h2-11,13-15,25H,12H2,1H3/b23-15+

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Potential Energy
Epot(MMFF94)=92.4532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.399 g/mol  logS: -5.37632  SlogP: 4.93617  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0330897  Sterimol/B1: 3.31912  Sterimol/B2: 3.70042  Sterimol/B3: 4.88571
  Sterimol/B4: 5.31806  Sterimol/L: 19.0529 
 
 Surface and Volume Properties
  Accessible surface: 615.75  Positive charged surface: 361.086  Negative charged surface: 254.664  Volume: 337.5
  Hydrophobic surface: 525.255  Hydrophilic surface: 90.495
 
 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.