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


NCID-ZINC01731202

 MMsINC code: MMs02354100
Type: Neutral
Formula: C18H29NO3
SMILES:   O(CCOCCN(C)C1CCCCC1)c1ccccc1OC
InChI:   InChI=1/C18H29NO3/c1-19(16-8-4-3-5-9-16)12-13-21-14-15-22-18-11-7-6-10-17(18)20-2/h6-7,10-11,16H,3-5,8-9,12-15H2,1-2H3

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)=92.5602 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.434 g/mol  logS: -2.99731  SlogP: 3.3551  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115876  Sterimol/B1: 3.04394  Sterimol/B2: 4.10116  Sterimol/B3: 4.97367
  Sterimol/B4: 6.71482  Sterimol/L: 16.418 
 
 Surface and Volume Properties
  Accessible surface: 625.136  Positive charged surface: 509.738  Negative charged surface: 115.398  Volume: 325.25
  Hydrophobic surface: 609.198  Hydrophilic surface: 15.938
 
 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


MMs02354101
NCID-ZINC01731202