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


CHEMDIV-ZINC06811627

 MMsINC code: MMs01039347
Type: Neutral
Formula: C26H37NO2
SMILES:   O(CC)c1ccc(cc1)C(O)(C(CN1CCCCCC1)c1ccccc1)CCC
InChI:   InChI=1/C26H37NO2/c1-3-18-26(28,23-14-16-24(17-15-23)29-4-2)25(22-12-8-7-9-13-22)21-27-19-10-5-6-11-20-27/h7-9,12-17,25,28H,3-6,10-11,18-21H2,1-2H3/t25-,26-/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)=119.476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.587 g/mol  logS: -5.13543  SlogP: 6.0443  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158801  Sterimol/B1: 2.1289  Sterimol/B2: 3.12715  Sterimol/B3: 4.97648
  Sterimol/B4: 10.6673  Sterimol/L: 15.9376 
 
 Surface and Volume Properties
  Accessible surface: 695.858  Positive charged surface: 509.883  Negative charged surface: 185.975  Volume: 427.25
  Hydrophobic surface: 626.502  Hydrophilic surface: 69.356
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01039348
CHEMDIV-ZINC06811627