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


CHEMBRIDGE-ZINC02902716

 MMsINC code: MMs00739514
Type: Neutral
Formula: C18H31NO
SMILES:   O(CCCCCCNCCCC)c1ccccc1CC
InChI:   InChI=1/C18H31NO/c1-3-5-14-19-15-10-6-7-11-16-20-18-13-9-8-12-17(18)4-2/h8-9,12-13,19H,3-7,10-11,14-16H2,1-2H3

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)=27.3233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.452 g/mol  logS: -3.72917  SlogP: 4.57787  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0145377  Sterimol/B1: 2.77241  Sterimol/B2: 2.7969  Sterimol/B3: 4.66477
  Sterimol/B4: 5.40322  Sterimol/L: 21.9811 
 
 Surface and Volume Properties
  Accessible surface: 648.803  Positive charged surface: 496.353  Negative charged surface: 152.45  Volume: 323.5
  Hydrophobic surface: 583.421  Hydrophilic surface: 65.382
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00739515
CHEMBRIDGE-ZINC02902716