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ENAMINE-ZINC03428199

 MMsINC code: MMs01435843
Type: Neutral
Formula: C23H28N2O2
SMILES:   O=C(NC(CC(=O)NC1CCCCCC1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H28N2O2/c26-22(24-20-15-9-1-2-10-16-20)17-21(18-11-5-3-6-12-18)25-23(27)19-13-7-4-8-14-19/h3-8,11-14,20-21H,1-2,9-10,15-17H2,(H,24,26)(H,25,27)/t21-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.3286 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.489 g/mol  logS: -5.33976  SlogP: 4.4823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0853873  Sterimol/B1: 2.43125  Sterimol/B2: 3.31125  Sterimol/B3: 4.1327
  Sterimol/B4: 11.0654  Sterimol/L: 16.1443 
 
 Surface and Volume Properties
  Accessible surface: 667.791  Positive charged surface: 426.7  Negative charged surface: 241.091  Volume: 377.625
  Hydrophobic surface: 609.344  Hydrophilic surface: 58.447
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.