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


ENAMINE-ZINC03491215

 MMsINC code: MMs01471375
Type: Neutral
Formula: C19H18N2O3S
SMILES:   S(=O)(=O)(N)c1ccc(cc1)CCNC(=O)c1c2c(ccc1)cccc2
InChI:   InChI=1/C19H18N2O3S/c20-25(23,24)16-10-8-14(9-11-16)12-13-21-19(22)18-7-3-5-15-4-1-2-6-17(15)18/h1-11H,12-13H2,(H,21,22)(H2,20,23,24)

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)=60.8224 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.43 g/mol  logS: -5.46487  SlogP: 2.45967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0285058  Sterimol/B1: 3.13326  Sterimol/B2: 3.63018  Sterimol/B3: 3.65312
  Sterimol/B4: 6.92976  Sterimol/L: 19.6548 
 
 Surface and Volume Properties
  Accessible surface: 612.047  Positive charged surface: 322.128  Negative charged surface: 278.848  Volume: 324.125
  Hydrophobic surface: 445.435  Hydrophilic surface: 166.612
 
 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


MMs01471376
ENAMINE-ZINC03491215