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


NCID-ZINC05809368

 MMsINC code: MMs02499219
Type: Neutral
Formula: C31H46N2O2
SMILES:   O(CCN(CC)CC)c1ccc(cc1)C(c1ccc(OCCN(CC)CC)cc1)=C1CCCCC1
InChI:   InChI=1/C31H46N2O2/c1-5-32(6-2)22-24-34-29-18-14-27(15-19-29)31(26-12-10-9-11-13-26)28-16-20-30(21-17-28)35-25-23-33(7-3)8-4/h14-21H,5-13,22-25H2,1-4H3

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)=130.072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 478.721 g/mol  logS: -7.25541  SlogP: 6.71109  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0663615  Sterimol/B1: 2.14096  Sterimol/B2: 2.58151  Sterimol/B3: 5.55021
  Sterimol/B4: 13.2638  Sterimol/L: 20.2239 
 
 Surface and Volume Properties
  Accessible surface: 903.584  Positive charged surface: 685.839  Negative charged surface: 217.745  Volume: 526.875
  Hydrophobic surface: 808.068  Hydrophilic surface: 95.516
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02499220
NCID-ZINC05809368