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


NCID-ZINC01626971

 MMsINC code: MMs02273299
Type: Neutral
Formula: C10H18O
SMILES:   O=C1CC(CCC1C)C(C)C
InChI:   InChI=1/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-9H,4-6H2,1-3H3/t8-,9+/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)=28.1236 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -2.50076  SlogP: 2.6477  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173385  Sterimol/B1: 2.14018  Sterimol/B2: 3.70165  Sterimol/B3: 3.96503
  Sterimol/B4: 4.34304  Sterimol/L: 10.1666 
 
 Surface and Volume Properties
  Accessible surface: 355.908  Positive charged surface: 245.275  Negative charged surface: 110.633  Volume: 175.875
  Hydrophobic surface: 258.76  Hydrophilic surface: 97.148
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.