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


ENAMINE-ZINC01463502

 MMsINC code: MMs01240816
Type: Neutral
Formula: C20H29N3O5S
SMILES:   S(=O)(=O)(N1CCC(CC1)C(=O)NC1CCCCC1)c1ccc(NC(OC)=O)cc1
InChI:   InChI=1/C20H29N3O5S/c1-28-20(25)22-17-7-9-18(10-8-17)29(26,27)23-13-11-15(12-14-23)19(24)21-16-5-3-2-4-6-16/h7-10,15-16H,2-6,11-14H2,1H3,(H,21,24)(H,22,25)

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)=33.4807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.534 g/mol  logS: -3.52992  SlogP: 2.7145  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0389297  Sterimol/B1: 2.72184  Sterimol/B2: 3.90989  Sterimol/B3: 4.27386
  Sterimol/B4: 5.92016  Sterimol/L: 23.5898 
 
 Surface and Volume Properties
  Accessible surface: 699.606  Positive charged surface: 503.641  Negative charged surface: 195.965  Volume: 389.375
  Hydrophobic surface: 549.017  Hydrophilic surface: 150.589
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.