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


NCID-ZINC01600777

 MMsINC code: MMs02253852
Type: Neutral
Formula: C18H18O3
SMILES:   OC(=O)c1cccc(C)c1C(=O)c1c(cc(cc1C)C)C
InChI:   InChI=1/C18H18O3/c1-10-8-12(3)15(13(4)9-10)17(19)16-11(2)6-5-7-14(16)18(20)21/h5-9H,1-4H3,(H,20,21)

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)=131.138 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.339 g/mol  logS: -5.32277  SlogP: 3.84948  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.292746  Sterimol/B1: 2.46172  Sterimol/B2: 2.56898  Sterimol/B3: 6.17276
  Sterimol/B4: 6.30538  Sterimol/L: 13.3205 
 
 Surface and Volume Properties
  Accessible surface: 492.887  Positive charged surface: 291.241  Negative charged surface: 201.646  Volume: 277.125
  Hydrophobic surface: 401.608  Hydrophilic surface: 91.279
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02253853
NCID-ZINC01600777