logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC05985456

 MMsINC code: MMs03477802
Type: Neutral
Formula: C26H34N2O3
SMILES:   O(C(=O)c1c2CC(CCc2nc2c1cccc2)C(C)(C)C)CC(=O)N1CCCCCC1
InChI:   InChI=1/C26H34N2O3/c1-26(2,3)18-12-13-22-20(16-18)24(19-10-6-7-11-21(19)27-22)25(30)31-17-23(29)28-14-8-4-5-9-15-28/h6-7,10-11,18H,4-5,8-9,12-17H2,1-3H3/t18-/m0/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=121.137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.569 g/mol  logS: -6.52734  SlogP: 4.94514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0774198  Sterimol/B1: 2.57165  Sterimol/B2: 3.70981  Sterimol/B3: 4.40319
  Sterimol/B4: 11.6193  Sterimol/L: 16.3393 
 
 Surface and Volume Properties
  Accessible surface: 718.145  Positive charged surface: 481.829  Negative charged surface: 230.286  Volume: 428.625
  Hydrophobic surface: 592.696  Hydrophilic surface: 125.449
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.