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


NCID-ZINC01661110

 MMsINC code: MMs02298269
Type: Neutral
Formula: C9H17NO2
SMILES:   O(CCC)C(=O)N1CCCCC1
InChI:   InChI=1/C9H17NO2/c1-2-8-12-9(11)10-6-4-3-5-7-10/h2-8H2,1H3

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)=-7.76235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 171.24 g/mol  logS: -1.01707  SlogP: 2.0189  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0600456  Sterimol/B1: 2.84694  Sterimol/B2: 3.39436  Sterimol/B3: 3.91025
  Sterimol/B4: 3.91161  Sterimol/L: 13.0734 
 
 Surface and Volume Properties
  Accessible surface: 402.607  Positive charged surface: 325.754  Negative charged surface: 76.8524  Volume: 183
  Hydrophobic surface: 344.019  Hydrophilic surface: 58.588
 
 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.