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PUBCHEM-ZINC05357879

 MMsINC code: MMs03247623
Type: Neutral
Formula: C24H22N2O2
SMILES:   o1nc(c2cc(ccc12)-c1ccccc1)CC(=O)NC(C)(C)c1ccccc1
InChI:   InChI=1/C24H22N2O2/c1-24(2,19-11-7-4-8-12-19)25-23(27)16-21-20-15-18(13-14-22(20)28-26-21)17-9-5-3-6-10-17/h3-15H,16H2,1-2H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=112.806 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.452 g/mol  logS: -7.08713  SlogP: 5.40027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0686613  Sterimol/B1: 2.70424  Sterimol/B2: 4.28044  Sterimol/B3: 5.0994
  Sterimol/B4: 7.57405  Sterimol/L: 17.8373 
 
 Surface and Volume Properties
  Accessible surface: 660.807  Positive charged surface: 342.68  Negative charged surface: 302.745  Volume: 369.875
  Hydrophobic surface: 585.786  Hydrophilic surface: 75.021
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1
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Ions/Tautomers related molecules: no related molecules available.