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


NCID-ZINC01755673

 MMsINC code: MMs02364474
Type: Ionized
Formula: C11H24NO2+
SMILES:   O(C(=O)CC(C)(C)C)CCC[NH+](C)C
InChI:   InChI=1/C11H23NO2/c1-11(2,3)9-10(13)14-8-6-7-12(4)5/h6-9H2,1-5H3/p+1

Download   format file 
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)=21.4005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.318 g/mol  logS: -1.82877  SlogP: 0.5004  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0536219  Sterimol/B1: 1.98032  Sterimol/B2: 3.57683  Sterimol/B3: 3.60844
  Sterimol/B4: 4.72998  Sterimol/L: 15.673 
 
 Surface and Volume Properties
  Accessible surface: 484.617  Positive charged surface: 409.425  Negative charged surface: 75.192  Volume: 234.25
  Hydrophobic surface: 351.228  Hydrophilic surface: 133.389
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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:  
   
Parent related molecule:


MMs02364473
NCID-ZINC01755673