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


NCID-ZINC01661112

 MMsINC code: MMs02298271
Type: Neutral
Formula: C10H19NO2
SMILES:   O(CCCC)C(=O)N1CCCCC1
InChI:   InChI=1/C10H19NO2/c1-2-3-9-13-10(12)11-7-5-4-6-8-11/h2-9H2,1H3

Download   format file 
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)=-7.76826 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.53229  SlogP: 2.409  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.047472  Sterimol/B1: 2.98539  Sterimol/B2: 3.29796  Sterimol/B3: 3.41658
  Sterimol/B4: 4.56346  Sterimol/L: 14.3215 
 
 Surface and Volume Properties
  Accessible surface: 432.174  Positive charged surface: 352.471  Negative charged surface: 79.7033  Volume: 200.5
  Hydrophobic surface: 374.442  Hydrophilic surface: 57.732
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: no related molecules available.