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


PUBCHEM-ZINC05846880

 MMsINC code: MMs03414195
Type: Neutral
Formula: C20H27NO
SMILES:   O(C(c1ccccc1)c1ccccc1)CCCN(CC)CC
InChI:   InChI=1/C20H27NO/c1-3-21(4-2)16-11-17-22-20(18-12-7-5-8-13-18)19-14-9-6-10-15-19/h5-10,12-15,20H,3-4,11,16-17H2,1-2H3

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)=62.7736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.442 g/mol  logS: -4.02306  SlogP: 4.62  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136255  Sterimol/B1: 2.3304  Sterimol/B2: 5.64861  Sterimol/B3: 5.79735
  Sterimol/B4: 5.90049  Sterimol/L: 14.9149 
 
 Surface and Volume Properties
  Accessible surface: 618.207  Positive charged surface: 416.812  Negative charged surface: 201.394  Volume: 333.25
  Hydrophobic surface: 573.255  Hydrophilic surface: 44.952
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03414196
PUBCHEM-ZINC05846880