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


PUBCHEM-ZINC03606185

 MMsINC code: MMs03020299
Type: Neutral
Formula: C15H28N2O2
SMILES:   OC(C(N)CC1CCCCC1)CC(CC=C)C(=O)N
InChI:   InChI=1/C15H28N2O2/c1-2-6-12(15(17)19)10-14(18)13(16)9-11-7-4-3-5-8-11/h2,11-14,18H,1,3-10,16H2,(H2,17,19)/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)=46.1301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.401 g/mol  logS: -3.32426  SlogP: 1.7127  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0758553  Sterimol/B1: 2.097  Sterimol/B2: 3.91032  Sterimol/B3: 3.92088
  Sterimol/B4: 6.34177  Sterimol/L: 16.4249 
 
 Surface and Volume Properties
  Accessible surface: 540.01  Positive charged surface: 402.541  Negative charged surface: 137.469  Volume: 289.5
  Hydrophobic surface: 336.39  Hydrophilic surface: 203.62
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs03020300
PUBCHEM-ZINC03606185