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


ASINEX-ZINC00801349

 MMsINC code: MMs00170322
Type: Neutral
Formula: C19H21ClN2O3S
SMILES:   Clc1ccccc1CNC(=O)C1N(S(=O)(=O)c2ccc(cc2)C)CCC1
InChI:   InChI=1/C19H21ClN2O3S/c1-14-8-10-16(11-9-14)26(24,25)22-12-4-7-18(22)19(23)21-13-15-5-2-3-6-17(15)20/h2-3,5-6,8-11,18H,4,7,12-13H2,1H3,(H,21,23)/t18-/m1/s1

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)=65.2813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.907 g/mol  logS: -4.9995  SlogP: 3.38432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0913931  Sterimol/B1: 2.22044  Sterimol/B2: 2.79994  Sterimol/B3: 5.16916
  Sterimol/B4: 9.68013  Sterimol/L: 15.6714 
 
 Surface and Volume Properties
  Accessible surface: 637.206  Positive charged surface: 349.142  Negative charged surface: 288.065  Volume: 352.625
  Hydrophobic surface: 562.105  Hydrophilic surface: 75.101
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.