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


CHEMDIV-ZINC03895636

 MMsINC code: MMs00917501
Type: Neutral
Formula: C19H34N2O4
SMILES:   O(C(=O)C(NC(=O)C(NC(=O)C1CCC(CC1)CC)C(C)C)C)CC
InChI:   InChI=1/C19H34N2O4/c1-6-14-8-10-15(11-9-14)17(22)21-16(12(3)4)18(23)20-13(5)19(24)25-7-2/h12-16H,6-11H2,1-5H3,(H,20,23)(H,21,22)/t13-,14-,15-,16+/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)=60.6116 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.491 g/mol  logS: -4.61398  SlogP: 2.4114  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.065743  Sterimol/B1: 2.3955  Sterimol/B2: 3.93675  Sterimol/B3: 5.50136
  Sterimol/B4: 5.50865  Sterimol/L: 21.2397 
 
 Surface and Volume Properties
  Accessible surface: 668.873  Positive charged surface: 485.735  Negative charged surface: 183.138  Volume: 368.5
  Hydrophobic surface: 476.415  Hydrophilic surface: 192.458
 
 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.