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


IBS-ZINC00546286

 MMsINC code: MMs01752571
Type: Neutral
Formula: C14H26N2O3
SMILES:   OC(=O)C(NC(=O)NC1CCCCC1C)CC(C)C
InChI:   InChI=1/C14H26N2O3/c1-9(2)8-12(13(17)18)16-14(19)15-11-7-5-4-6-10(11)3/h9-12H,4-8H2,1-3H3,(H,17,18)(H2,15,16,19)/t10-,11+,12-/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)=9.47388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -2.8325  SlogP: 2.3636  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.119236  Sterimol/B1: 2.98185  Sterimol/B2: 3.40413  Sterimol/B3: 4.47869
  Sterimol/B4: 6.45254  Sterimol/L: 13.1787 
 
 Surface and Volume Properties
  Accessible surface: 525.822  Positive charged surface: 372.027  Negative charged surface: 153.795  Volume: 280.875
  Hydrophobic surface: 351.529  Hydrophilic surface: 174.293
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs01752572
IBS-ZINC00546286