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CHEMBRIDGE-ZINC01059268

MMsINC code: MMs00655604

Type: Neutral
Formula: C25H26N2O2
SMILES:   OC(C1CCN(CC1)C(=O)Nc1ccccc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H26N2O2/c28-24(26-23-14-8-3-9-15-23)27-18-16-22(17-19-27)25(29,20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-15,22,29H,16-19H2,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.495 g/mol  logS: -5.28417  SlogP: 5.1781  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0748797  Sterimol/B1: 2.40969  Sterimol/B2: 3.41508  Sterimol/B3: 4.3928
  Sterimol/B4: 9.20623  Sterimol/L: 17.6697 
 
 Surface and Volume Properties
  Accessible surface: 660.743  Positive charged surface: 399.115  Negative charged surface: 261.628  Volume: 387.125
  Hydrophobic surface: 605.337  Hydrophilic surface: 55.406
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.