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


PUBCHEM-ZINC06408284

 MMsINC code: MMs03711803
Type: Neutral
Formula: C15H25N3O3S
SMILES:   S(CCC1NC(=O)N(CC(=O)NC2CCCCCC2)C1=O)C
InChI:   InChI=1/C15H25N3O3S/c1-22-9-8-12-14(20)18(15(21)17-12)10-13(19)16-11-6-4-2-3-5-7-11/h11-12H,2-10H2,1H3,(H,16,19)(H,17,21)/t12-/m0/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)=26.8012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.449 g/mol  logS: -3.38707  SlogP: 1.4989  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0664699  Sterimol/B1: 2.48062  Sterimol/B2: 3.61066  Sterimol/B3: 4.36259
  Sterimol/B4: 7.09803  Sterimol/L: 17.354 
 
 Surface and Volume Properties
  Accessible surface: 591.101  Positive charged surface: 405.73  Negative charged surface: 185.371  Volume: 311.75
  Hydrophobic surface: 414.723  Hydrophilic surface: 176.378
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.