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


NCID-ZINC01648352

 MMsINC code: MMs02288507
Type: Neutral
Formula: C10H18O2
SMILES:   OC(=O)C1(CC(CC1)C(C)C)C
InChI:   InChI=1/C10H18O2/c1-7(2)8-4-5-10(3,6-8)9(11)12/h7-8H,4-6H2,1-3H3,(H,11,12)/t8-,10+/m1/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)=24.8548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.252 g/mol  logS: -2.67311  SlogP: 2.5334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.197027  Sterimol/B1: 2.22509  Sterimol/B2: 3.55554  Sterimol/B3: 3.81407
  Sterimol/B4: 5.31624  Sterimol/L: 11.3393 
 
 Surface and Volume Properties
  Accessible surface: 378.263  Positive charged surface: 267.03  Negative charged surface: 111.233  Volume: 183.5
  Hydrophobic surface: 241.289  Hydrophilic surface: 136.974
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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


MMs02288508
NCID-ZINC01648352