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


ENAMINE-ZINC07007819

 MMsINC code: MMs01720398
Type: Neutral
Formula: C20H23N3O4S
SMILES:   S(=O)(=O)(N(C)C)c1cc(ccc1)CN1C(=O)C(NC1=O)CCc1ccccc1
InChI:   InChI=1/C20H23N3O4S/c1-22(2)28(26,27)17-10-6-9-16(13-17)14-23-19(24)18(21-20(23)25)12-11-15-7-4-3-5-8-15/h3-10,13,18H,11-12,14H2,1-2H3,(H,21,25)/t18-/m0/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)=30.9611 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.487 g/mol  logS: -3.74709  SlogP: 2.25647  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129292  Sterimol/B1: 2.18635  Sterimol/B2: 4.21064  Sterimol/B3: 6.93813
  Sterimol/B4: 7.06101  Sterimol/L: 16.5308 
 
 Surface and Volume Properties
  Accessible surface: 663.545  Positive charged surface: 421.909  Negative charged surface: 241.636  Volume: 371
  Hydrophobic surface: 508.557  Hydrophilic surface: 154.988
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.