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


ENAMINE-ZINC06845339

MMsINC code: MMs01703801

Type: Neutral
Formula: C19H19NO3S
SMILES:   S(Cc1occc1)CCNC(=O)c1cc2c(cc1OC)cccc2
InChI:   InChI=1/C19H19NO3S/c1-22-18-12-15-6-3-2-5-14(15)11-17(18)19(21)20-8-10-24-13-16-7-4-9-23-16/h2-7,9,11-12H,8,10,13H2,1H3,(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)=85.6532 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.431 g/mol  logS: -5.97062  SlogP: 4.371  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0151715  Sterimol/B1: 2.53797  Sterimol/B2: 3.04589  Sterimol/B3: 3.44589
  Sterimol/B4: 9.37368  Sterimol/L: 19.8838 
 
 Surface and Volume Properties
  Accessible surface: 635.928  Positive charged surface: 380.216  Negative charged surface: 244.641  Volume: 329.75
  Hydrophobic surface: 545.108  Hydrophilic surface: 90.82
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.