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


CHEMDIV-ZINC04119068

 MMsINC code: MMs00927927
Type: Neutral
Formula: C19H34N2O4S
SMILES:   S(CCC(NC(=O)C(NC(=O)C1CCC(CC1)C)C(C)C)C(OC)=O)C
InChI:   InChI=1/C19H34N2O4S/c1-12(2)16(21-17(22)14-8-6-13(3)7-9-14)18(23)20-15(10-11-26-5)19(24)25-4/h12-16H,6-11H2,1-5H3,(H,20,23)(H,21,22)/t13-,14+,15-,16+/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)=75.1475 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.557 g/mol  logS: -4.63799  SlogP: 2.3644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0655796  Sterimol/B1: 3.54305  Sterimol/B2: 3.69012  Sterimol/B3: 4.65075
  Sterimol/B4: 8.04516  Sterimol/L: 16.3486 
 
 Surface and Volume Properties
  Accessible surface: 677.02  Positive charged surface: 481.725  Negative charged surface: 195.295  Volume: 385.5
  Hydrophobic surface: 509  Hydrophilic surface: 168.02
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.