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


PUBCHEM-ZINC02127543

 MMsINC code: MMs02874145
Type: Neutral
Formula: C19H22O2
SMILES:   OC(=O)CCc1ccccc1-c1ccc(cc1)CCCC
InChI:   InChI=1/C19H22O2/c1-2-3-6-15-9-11-17(12-10-15)18-8-5-4-7-16(18)13-14-19(20)21/h4-5,7-12H,2-3,6,13-14H2,1H3,(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)=51.4578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.383 g/mol  logS: -5.74363  SlogP: 4.71334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0729252  Sterimol/B1: 3.00515  Sterimol/B2: 4.16436  Sterimol/B3: 5.12223
  Sterimol/B4: 5.29688  Sterimol/L: 16.4754 
 
 Surface and Volume Properties
  Accessible surface: 562.829  Positive charged surface: 352.323  Negative charged surface: 208.174  Volume: 301.375
  Hydrophobic surface: 445.902  Hydrophilic surface: 116.927
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02874146
PUBCHEM-ZINC02127543