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


NCID-ZINC01859429

 MMsINC code: MMs02373116
Type: Neutral
Formula: C26H26O3
SMILES:   OC(=O)C(C(CC(=O)c1ccccc1)c1ccc(cc1)C(C)C)c1ccccc1
InChI:   InChI=1/C26H26O3/c1-18(2)19-13-15-20(16-14-19)23(17-24(27)21-9-5-3-6-10-21)25(26(28)29)22-11-7-4-8-12-22/h3-16,18,23,25H,17H2,1-2H3,(H,28,29)/t23-,25+/m1/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)=103.887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.491 g/mol  logS: -6.47977  SlogP: 6.035  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134537  Sterimol/B1: 3.08732  Sterimol/B2: 4.77631  Sterimol/B3: 4.80406
  Sterimol/B4: 8.97794  Sterimol/L: 16.0824 
 
 Surface and Volume Properties
  Accessible surface: 673.932  Positive charged surface: 411.508  Negative charged surface: 262.423  Volume: 397.5
  Hydrophobic surface: 546.782  Hydrophilic surface: 127.15
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02373117
NCID-ZINC01859429