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ENAMINE-ZINC03407454

 MMsINC code: MMs01423682
Type: Neutral
Formula: C26H26N2O2
SMILES:   O=C1N(CC(C1)C(=O)NC(c1ccccc1)c1ccccc1)CCc1ccccc1
InChI:   InChI=1/C26H26N2O2/c29-24-18-23(19-28(24)17-16-20-10-4-1-5-11-20)26(30)27-25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23,25H,16-19H2,(H,27,30)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.4821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.506 g/mol  logS: -4.9821  SlogP: 4.07887  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0561564  Sterimol/B1: 3.74727  Sterimol/B2: 4.50089  Sterimol/B3: 5.6915
  Sterimol/B4: 5.7446  Sterimol/L: 19.8673 
 
 Surface and Volume Properties
  Accessible surface: 724.266  Positive charged surface: 420.824  Negative charged surface: 303.443  Volume: 407.875
  Hydrophobic surface: 660.797  Hydrophilic surface: 63.469
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.