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


PUBCHEM-ZINC02863116

 MMsINC code: MMs02945369
Type: Neutral
Formula: C18H28N2O2
SMILES:   O(CCCCN1CCN(CC1)CC)c1cc(ccc1)C(=O)C
InChI:   InChI=1/C18H28N2O2/c1-3-19-10-12-20(13-11-19)9-4-5-14-22-18-8-6-7-17(15-18)16(2)21/h6-8,15H,3-5,9-14H2,1-2H3

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)=77.6492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.434 g/mol  logS: -2.4229  SlogP: 2.6857  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.020441  Sterimol/B1: 2.44476  Sterimol/B2: 2.59542  Sterimol/B3: 4.09183
  Sterimol/B4: 5.84449  Sterimol/L: 21.3233 
 
 Surface and Volume Properties
  Accessible surface: 620.163  Positive charged surface: 467.721  Negative charged surface: 152.442  Volume: 326.375
  Hydrophobic surface: 546.078  Hydrophilic surface: 74.085
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02945370
PUBCHEM-ZINC02863116