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PUBCHEM-ZINC06190002

 MMsINC code: MMs03590405
Type: Neutral
Formula: C24H23N3O2
SMILES:   O=C(Nc1ccc(cc1)C(=O)N\N=C(\C)/c1ccc(cc1)C)c1ccccc1C
InChI:   InChI=1/C24H23N3O2/c1-16-8-10-19(11-9-16)18(3)26-27-23(28)20-12-14-21(15-13-20)25-24(29)22-7-5-4-6-17(22)2/h4-15H,1-3H3,(H,25,29)(H,27,28)/b26-18+

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Potential Energy
Epot(MMFF94)=151.028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.467 g/mol  logS: -6.76214  SlogP: 4.70974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00783024  Sterimol/B1: 2.76883  Sterimol/B2: 2.98101  Sterimol/B3: 3.39583
  Sterimol/B4: 5.1978  Sterimol/L: 23.8182 
 
 Surface and Volume Properties
  Accessible surface: 703.985  Positive charged surface: 394.918  Negative charged surface: 309.067  Volume: 385.125
  Hydrophobic surface: 618.949  Hydrophilic surface: 85.036
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.