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


NCID-ZINC04748364

 MMsINC code: MMs02400324
Type: Neutral
Formula: C10H18O
SMILES:   OC(CCC1CCC=CC1)C
InChI:   InChI=1/C10H18O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-3,9-11H,4-8H2,1H3/t9-,10+/m0/s1

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)=15.6488 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -2.06915  SlogP: 2.5037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.078582  Sterimol/B1: 2.68316  Sterimol/B2: 3.15184  Sterimol/B3: 3.40121
  Sterimol/B4: 4.35137  Sterimol/L: 12.4922 
 
 Surface and Volume Properties
  Accessible surface: 383.075  Positive charged surface: 287.678  Negative charged surface: 95.3966  Volume: 180.5
  Hydrophobic surface: 288.575  Hydrophilic surface: 94.5
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.