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


ASINEX-ZINC04848393

 MMsINC code: MMs00378777
Type: Neutral
Formula: C15H24N4O5S
SMILES:   s1ccnc1NC(=O)CCC(=O)N(CC(=O)NCCOC)CCOC
InChI:   InChI=1/C15H24N4O5S/c1-23-8-5-16-13(21)11-19(7-9-24-2)14(22)4-3-12(20)18-15-17-6-10-25-15/h6,10H,3-5,7-9,11H2,1-2H3,(H,16,21)(H,17,18,20)

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)=66.3125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.446 g/mol  logS: -1.34661  SlogP: 0.0994  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0347114  Sterimol/B1: 3.10855  Sterimol/B2: 3.44202  Sterimol/B3: 3.66854
  Sterimol/B4: 6.77478  Sterimol/L: 21.1824 
 
 Surface and Volume Properties
  Accessible surface: 679.505  Positive charged surface: 535.139  Negative charged surface: 144.365  Volume: 343.75
  Hydrophobic surface: 526.544  Hydrophilic surface: 152.961
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.