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


PUBCHEM-ZINC05923236

 MMsINC code: MMs03444964
Type: Neutral
Formula: C15H16O
SMILES:   OC(CC)c1c2c3c(CCc3ccc2)cc1
InChI:   InChI=1/C15H16O/c1-2-14(16)12-9-8-11-7-6-10-4-3-5-13(12)15(10)11/h3-5,8-9,14,16H,2,6-7H2,1H3/t14-/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)=65.0128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.292 g/mol  logS: -4.40856  SlogP: 3.47724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0577721  Sterimol/B1: 2.44237  Sterimol/B2: 3.51156  Sterimol/B3: 4.69891
  Sterimol/B4: 5.30604  Sterimol/L: 12.4013 
 
 Surface and Volume Properties
  Accessible surface: 425.523  Positive charged surface: 263.558  Negative charged surface: 152.728  Volume: 221.625
  Hydrophobic surface: 367.231  Hydrophilic surface: 58.292
 
 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.