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ENAMINE-ZINC03346270

 MMsINC code: MMs01386519
Type: Neutral
Formula: C25H23N3O3
SMILES:   O=C1N(CC(=O)NC(c2ccccc2)c2ccccc2)C(=O)NC1Cc1ccccc1
InChI:   InChI=1/C25H23N3O3/c29-22(27-23(19-12-6-2-7-13-19)20-14-8-3-9-15-20)17-28-24(30)21(26-25(28)31)16-18-10-4-1-5-11-18/h1-15,21,23H,16-17H2,(H,26,31)(H,27,29)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.477 g/mol  logS: -5.57223  SlogP: 3.15077  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.089283  Sterimol/B1: 2.96781  Sterimol/B2: 4.7333  Sterimol/B3: 5.21846
  Sterimol/B4: 6.70154  Sterimol/L: 19.7591 
 
 Surface and Volume Properties
  Accessible surface: 707.838  Positive charged surface: 392.931  Negative charged surface: 314.908  Volume: 400.375
  Hydrophobic surface: 582.393  Hydrophilic surface: 125.445
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.