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


NCID-ZINC05340449

 MMsINC code: MMs02453026
Type: Neutral
Formula: C25H18O
SMILES:   O=C1c2c3c(ccc2CC)c(ccc3-c2c1cccc2)-c1ccccc1
InChI:   InChI=1/C25H18O/c1-2-16-12-13-20-18(17-8-4-3-5-9-17)14-15-21-19-10-6-7-11-22(19)25(26)23(16)24(20)21/h3-15H,2H2,1H3

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)=124.628 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.418 g/mol  logS: -9.53197  SlogP: 6.28057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0374965  Sterimol/B1: 2.29819  Sterimol/B2: 2.31339  Sterimol/B3: 3.53283
  Sterimol/B4: 9.59532  Sterimol/L: 16.2125 
 
 Surface and Volume Properties
  Accessible surface: 579.005  Positive charged surface: 304.713  Negative charged surface: 247.143  Volume: 337.25
  Hydrophobic surface: 541.746  Hydrophilic surface: 37.259
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.