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


NCID-ZINC04983843

 MMsINC code: MMs02424009
Type: Neutral
Formula: C14H23NO2
SMILES:   OC1C2(CCCCC2)C(=O)NC12CCCCC2
InChI:   InChI=1/C14H23NO2/c16-11-13(7-3-1-4-8-13)12(17)15-14(11)9-5-2-6-10-14/h11,16H,1-10H2,(H,15,17)/t11-/m0/s1

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)=56.1277 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.343 g/mol  logS: -2.90963  SlogP: 2.1305  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146572  Sterimol/B1: 3.45231  Sterimol/B2: 3.49891  Sterimol/B3: 3.95847
  Sterimol/B4: 4.58572  Sterimol/L: 12.6209 
 
 Surface and Volume Properties
  Accessible surface: 424.401  Positive charged surface: 326.132  Negative charged surface: 98.2685  Volume: 238.875
  Hydrophobic surface: 354.105  Hydrophilic surface: 70.296
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.