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


PUBCHEM-ZINC02954246

 MMsINC code: MMs02966139
Type: Neutral
Formula: C14H24N2O2
SMILES:   O=C1N(C(CC1)C(=O)NCCCC)C1CCCC1
InChI:   InChI=1/C14H24N2O2/c1-2-3-10-15-14(18)12-8-9-13(17)16(12)11-6-4-5-7-11/h11-12H,2-10H2,1H3,(H,15,18)/t12-/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)=38.1752 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.358 g/mol  logS: -2.06234  SlogP: 1.8363  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0610356  Sterimol/B1: 3.34915  Sterimol/B2: 3.68507  Sterimol/B3: 3.70005
  Sterimol/B4: 5.68847  Sterimol/L: 15.925 
 
 Surface and Volume Properties
  Accessible surface: 512.811  Positive charged surface: 400.834  Negative charged surface: 111.977  Volume: 263.75
  Hydrophobic surface: 441.379  Hydrophilic surface: 71.432
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.