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PUBCHEM-ZINC06580649

 MMsINC code: MMs03807189
Type: Neutral
Formula: C26H28N2O2
SMILES:   OC1CCN(Cc2ccccc2)C(=O)N(Cc2ccccc2)C1Cc1ccccc1
InChI:   InChI=1/C26H28N2O2/c29-25-16-17-27(19-22-12-6-2-7-13-22)26(30)28(20-23-14-8-3-9-15-23)24(25)18-21-10-4-1-5-11-21/h1-15,24-25,29H,16-20H2/t24-,25-/m1/s1

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Potential Energy
Epot(MMFF94)=107.849 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.522 g/mol  logS: -4.90559  SlogP: 5.01947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152051  Sterimol/B1: 2.44485  Sterimol/B2: 3.92326  Sterimol/B3: 4.15671
  Sterimol/B4: 11.1756  Sterimol/L: 14.598 
 
 Surface and Volume Properties
  Accessible surface: 639.656  Positive charged surface: 398.112  Negative charged surface: 241.544  Volume: 407.625
  Hydrophobic surface: 581.632  Hydrophilic surface: 58.024
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.