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ENAMINE-ZINC04469632

 MMsINC code: MMs01539849
Type: Neutral
Formula: C25H29N3O3
SMILES:   O=C1N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)C(=O)NC12CCCCCC2
InChI:   InChI=1/C25H29N3O3/c29-22(19-28-23(30)25(26-24(28)31)15-9-1-2-10-16-25)27(17-20-11-5-3-6-12-20)18-21-13-7-4-8-14-21/h3-8,11-14H,1-2,9-10,15-19H2,(H,26,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.525 g/mol  logS: -5.62323  SlogP: 4.393  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.077827  Sterimol/B1: 2.47241  Sterimol/B2: 3.36308  Sterimol/B3: 4.23544
  Sterimol/B4: 11.7673  Sterimol/L: 16.1268 
 
 Surface and Volume Properties
  Accessible surface: 678.624  Positive charged surface: 413.94  Negative charged surface: 264.684  Volume: 413.25
  Hydrophobic surface: 580.051  Hydrophilic surface: 98.573
 
 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.