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


NCID-ZINC01677455

 MMsINC code: MMs02312444
Type: Neutral
Formula: C15H22O2
SMILES:   O1C(COC1(CCCCC)C)c1ccccc1
InChI:   InChI=1/C15H22O2/c1-3-4-8-11-15(2)16-12-14(17-15)13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3/t14-,15+/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)=46.429 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.339 g/mol  logS: -4.25037  SlogP: 4.1665  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0470776  Sterimol/B1: 2.64604  Sterimol/B2: 3.52573  Sterimol/B3: 3.88246
  Sterimol/B4: 4.28927  Sterimol/L: 17.2363 
 
 Surface and Volume Properties
  Accessible surface: 500.049  Positive charged surface: 347.476  Negative charged surface: 152.573  Volume: 257.625
  Hydrophobic surface: 444.794  Hydrophilic surface: 55.255
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.