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


NCID-ZINC01764806

 MMsINC code: MMs02369189
Type: Neutral
Formula: C15H14O
SMILES:   O1c2c(Cc3c1c(ccc3)C)cccc2C
InChI:   InChI=1/C15H14O/c1-10-5-3-7-12-9-13-8-4-6-11(2)15(13)16-14(10)12/h3-8H,9H2,1-2H3

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)=53.3991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.276 g/mol  logS: -4.0577  SlogP: 3.99991  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0293995  Sterimol/B1: 1.96928  Sterimol/B2: 2.4893  Sterimol/B3: 2.79695
  Sterimol/B4: 6.82993  Sterimol/L: 12.0562 
 
 Surface and Volume Properties
  Accessible surface: 425.977  Positive charged surface: 259.81  Negative charged surface: 166.166  Volume: 222.25
  Hydrophobic surface: 425.977  Hydrophilic surface: 0
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: no related molecules available.