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


CHEMDIV-ZINC02601588

 MMsINC code: MMs00883398
Type: Neutral
Formula: C19H34N2O4
SMILES:   O(C(=O)C(NC(=O)C(NC(=O)C1CCC(CC1)C)C(C)C)C(C)C)C
InChI:   InChI=1/C19H34N2O4/c1-11(2)15(18(23)21-16(12(3)4)19(24)25-6)20-17(22)14-9-7-13(5)8-10-14/h11-16H,7-10H2,1-6H3,(H,20,22)(H,21,23)/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)=87.321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.491 g/mol  logS: -4.17509  SlogP: 2.2673  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106507  Sterimol/B1: 2.55977  Sterimol/B2: 3.77332  Sterimol/B3: 4.47084
  Sterimol/B4: 9.01465  Sterimol/L: 15.1619 
 
 Surface and Volume Properties
  Accessible surface: 638.425  Positive charged surface: 484.885  Negative charged surface: 153.54  Volume: 364.375
  Hydrophobic surface: 488.633  Hydrophilic surface: 149.792
 
 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.