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


PUBCHEM-ZINC02047784

 MMsINC code: MMs02865572
Type: Neutral
Formula: C18H16O2
SMILES:   OC(=O)CCc1c2c(cccc2)c(c2c1cccc2)C
InChI:   InChI=1/C18H16O2/c1-12-13-6-2-4-8-15(13)17(10-11-18(19)20)16-9-5-3-7-14(12)16/h2-9H,10-11H2,1H3,(H,19,20)

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)=75.0255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.324 g/mol  logS: -5.52735  SlogP: 4.31859  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0575799  Sterimol/B1: 2.7635  Sterimol/B2: 3.13978  Sterimol/B3: 6.02331
  Sterimol/B4: 6.03044  Sterimol/L: 13.1826 
 
 Surface and Volume Properties
  Accessible surface: 479.412  Positive charged surface: 251.465  Negative charged surface: 208.652  Volume: 265.125
  Hydrophobic surface: 382.031  Hydrophilic surface: 97.381
 
 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


MMs02865573
PUBCHEM-ZINC02047784