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


ACROSORGANICS-ZINC02572191

 MMsINC code: MMs00014690
Type: Neutral
Formula: C10H12O2
SMILES:   OC(=O)Cc1cc(cc(c1)C)C
InChI:   InChI=1/C10H12O2/c1-7-3-8(2)5-9(4-7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)

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)=28.022 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.204 g/mol  logS: -2.36359  SlogP: 1.93051  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100661  Sterimol/B1: 2.24487  Sterimol/B2: 2.99474  Sterimol/B3: 3.16167
  Sterimol/B4: 7.24986  Sterimol/L: 10.675 
 
 Surface and Volume Properties
  Accessible surface: 378.193  Positive charged surface: 238.669  Negative charged surface: 139.525  Volume: 169.25
  Hydrophobic surface: 283.833  Hydrophilic surface: 94.36
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00014691
ACROSORGANICS-ZINC02572191