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


NCID-ZINC01697553

 MMsINC code: MMs02328090
Type: Neutral
Formula: C21H16O2
SMILES:   OC(=O)c1c2c(c3c(c1)c(c1c(cccc1)c3C)C)cccc2
InChI:   InChI=1/C21H16O2/c1-12-14-7-3-4-8-15(14)13(2)20-17-10-6-5-9-16(17)19(21(22)23)11-18(12)20/h3-11H,1-2H3,(H,22,23)

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)=142.779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 300.357 g/mol  logS: -7.93576  SlogP: 5.46124  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.03034  Sterimol/B1: 2.52571  Sterimol/B2: 2.55123  Sterimol/B3: 3.64637
  Sterimol/B4: 8.21664  Sterimol/L: 13.9353 
 
 Surface and Volume Properties
  Accessible surface: 505.098  Positive charged surface: 261.782  Negative charged surface: 215.969  Volume: 296
  Hydrophobic surface: 417.606  Hydrophilic surface: 87.492
 
 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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02328091
NCID-ZINC01697553