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


NCID-ZINC04877389

 MMsINC code: MMs02411385
Type: Tautomer
Formula: C18H16O2
SMILES:   O=C1c2c(cccc2)C(=O)C1c1c(cc(cc1C)C)C
InChI:   InChI=1/C18H16O2/c1-10-8-11(2)15(12(3)9-10)16-17(19)13-6-4-5-7-14(13)18(16)20/h4-9,16H,1-3H3

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)=100.507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.324 g/mol  logS: -5.26923  SlogP: 3.77466  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116067  Sterimol/B1: 2.45708  Sterimol/B2: 3.78715  Sterimol/B3: 4.45688
  Sterimol/B4: 6.36076  Sterimol/L: 13.8883 
 
 Surface and Volume Properties
  Accessible surface: 475.474  Positive charged surface: 259.204  Negative charged surface: 216.27  Volume: 263.5
  Hydrophobic surface: 405.274  Hydrophilic surface: 70.2
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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:  
   
Parent related molecule:


MMs02411384
NCID-ZINC04877389