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


PUBCHEM-ZINC02009916

 MMsINC code: MMs02848465
Type: Neutral
Formula: C10H14O
SMILES:   OC(C)c1cc(C)c(cc1)C
InChI:   InChI=1/C10H14O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6,9,11H,1-3H3/t9-/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)=36.8469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.221 g/mol  logS: -2.43095  SlogP: 2.45224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0874505  Sterimol/B1: 2.97116  Sterimol/B2: 3.18474  Sterimol/B3: 3.2185
  Sterimol/B4: 5.09245  Sterimol/L: 10.906 
 
 Surface and Volume Properties
  Accessible surface: 368.565  Positive charged surface: 234.027  Negative charged surface: 134.538  Volume: 171
  Hydrophobic surface: 299.702  Hydrophilic surface: 68.863
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.