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


MICROSOURCE-ZINC03984027

 MMsINC code: MMs02189697
Type: Neutral
Formula: C15H26N2O2
SMILES:   OC(=O)C1CC(CN2C1CCCC2)C1NCCCC1
InChI:   InChI=1/C15H26N2O2/c18-15(19)12-9-11(13-5-1-3-7-16-13)10-17-8-4-2-6-14(12)17/h11-14,16H,1-10H2,(H,18,19)/t11-,12-,13-,14+/m1/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)=21.4719 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.385 g/mol  logS: -0.94293  SlogP: 1.7037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.206458  Sterimol/B1: 2.79626  Sterimol/B2: 2.89391  Sterimol/B3: 4.64235
  Sterimol/B4: 7.68811  Sterimol/L: 12.2092 
 
 Surface and Volume Properties
  Accessible surface: 478.791  Positive charged surface: 387.489  Negative charged surface: 91.3021  Volume: 271.125
  Hydrophobic surface: 386.112  Hydrophilic surface: 92.679
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs02189698
MICROSOURCE-ZINC03984027