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


CHEMBRIDGE-ZINC02932213

 MMsINC code: MMs00742218
Type: Neutral
Formula: C14H23NO
SMILES:   O(CCNCCCC)c1ccc(cc1C)C
InChI:   InChI=1/C14H23NO/c1-4-5-8-15-9-10-16-14-7-6-12(2)11-13(14)3/h6-7,11,15H,4-5,8-10H2,1-3H3

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)=38.3355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.344 g/mol  logS: -2.88079  SlogP: 3.07194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0494141  Sterimol/B1: 2.5185  Sterimol/B2: 3.39121  Sterimol/B3: 4.54158
  Sterimol/B4: 5.37399  Sterimol/L: 17.1781 
 
 Surface and Volume Properties
  Accessible surface: 521.107  Positive charged surface: 390.851  Negative charged surface: 130.256  Volume: 256.125
  Hydrophobic surface: 483.042  Hydrophilic surface: 38.065
 
 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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00742219
CHEMBRIDGE-ZINC02932213