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


PUBCHEM-ZINC06202041

 MMsINC code: MMs03609603
Type: Neutral
Formula: C11H23N3O3S
SMILES:   S(C(C)(C)C)CC(N)C(=O)NC(C(O)C)C(=O)N
InChI:   InChI=1/C11H23N3O3S/c1-6(15)8(9(13)16)14-10(17)7(12)5-18-11(2,3)4/h6-8,15H,5,12H2,1-4H3,(H2,13,16)(H,14,17)/t6-,7-,8-/m1/s1

Download   format file 
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)=72.5235 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.389 g/mol  logS: -1.83121  SlogP: -0.8037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117975  Sterimol/B1: 2.49227  Sterimol/B2: 3.23898  Sterimol/B3: 5.13828
  Sterimol/B4: 5.83662  Sterimol/L: 14.747 
 
 Surface and Volume Properties
  Accessible surface: 519.82  Positive charged surface: 355.416  Negative charged surface: 164.403  Volume: 271.25
  Hydrophobic surface: 221.23  Hydrophilic surface: 298.59
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03609604
PUBCHEM-ZINC06202041