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


CHEMBRIDGE-ZINC04842917

 MMsINC code: MMs00800310
Type: Neutral
Formula: C18H27NO2
SMILES:   O(CCCCN1CCCCC1)c1ccc(cc1)C(=O)CC
InChI:   InChI=1/C18H27NO2/c1-2-18(20)16-8-10-17(11-9-16)21-15-7-6-14-19-12-4-3-5-13-19/h8-11H,2-7,12-15H2,1H3

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)=46.0939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.419 g/mol  logS: -3.00488  SlogP: 3.9242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0190375  Sterimol/B1: 2.53869  Sterimol/B2: 3.10164  Sterimol/B3: 3.36178
  Sterimol/B4: 6.46027  Sterimol/L: 19.7992 
 
 Surface and Volume Properties
  Accessible surface: 602.228  Positive charged surface: 452.251  Negative charged surface: 149.977  Volume: 314.25
  Hydrophobic surface: 541.491  Hydrophilic surface: 60.737
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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


MMs00800311
CHEMBRIDGE-ZINC04842917