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


ENAMINE-ZINC03421870

 MMsINC code: MMs01432385
Type: Neutral
Formula: C19H23N3O2S
SMILES:   S(CCCNC(=O)C(NC(=O)N)Cc1ccccc1)c1ccccc1
InChI:   InChI=1/C19H23N3O2S/c20-19(24)22-17(14-15-8-3-1-4-9-15)18(23)21-12-7-13-25-16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2,(H,21,23)(H3,20,22,24)/t17-/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)=51.2633 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.478 g/mol  logS: -4.72977  SlogP: 2.56457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.017099  Sterimol/B1: 2.91924  Sterimol/B2: 3.14135  Sterimol/B3: 3.26031
  Sterimol/B4: 7.62313  Sterimol/L: 20.6563 
 
 Surface and Volume Properties
  Accessible surface: 658.088  Positive charged surface: 399.887  Negative charged surface: 258.2  Volume: 348.125
  Hydrophobic surface: 483.965  Hydrophilic surface: 174.123
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 2  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.