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


CHEMDIV-ZINC03895691

 MMsINC code: MMs00917545
Type: Neutral
Formula: C16H30N2O3
SMILES:   O(CCNC(=O)C(NC(=O)C1CCC(CC1)C)C(C)C)C
InChI:   InChI=1/C16H30N2O3/c1-11(2)14(16(20)17-9-10-21-4)18-15(19)13-7-5-12(3)6-8-13/h11-14H,5-10H2,1-4H3,(H,17,20)(H,18,19)/t12-,13-,14-/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)=49.2814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.427 g/mol  logS: -3.17881  SlogP: 1.7161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0706662  Sterimol/B1: 3.37503  Sterimol/B2: 3.55403  Sterimol/B3: 4.4472
  Sterimol/B4: 5.56947  Sterimol/L: 18.77 
 
 Surface and Volume Properties
  Accessible surface: 586.823  Positive charged surface: 471.624  Negative charged surface: 115.199  Volume: 315.125
  Hydrophobic surface: 462.313  Hydrophilic surface: 124.51
 
 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.