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


ENAMINE-ZINC06602122

 MMsINC code: MMs01683249
Type: Neutral
Formula: C19H30N2O2
SMILES:   O(C)c1ccccc1CN(C(C(=O)NCC1CCCCC1)C)C
InChI:   InChI=1/C19H30N2O2/c1-15(19(22)20-13-16-9-5-4-6-10-16)21(2)14-17-11-7-8-12-18(17)23-3/h7-8,11-12,15-16H,4-6,9-10,13-14H2,1-3H3,(H,20,22)/t15-/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)=85.0036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.461 g/mol  logS: -3.98086  SlogP: 3.4784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0520651  Sterimol/B1: 2.33032  Sterimol/B2: 2.64716  Sterimol/B3: 4.41579
  Sterimol/B4: 8.02502  Sterimol/L: 17.9287 
 
 Surface and Volume Properties
  Accessible surface: 607.261  Positive charged surface: 484.578  Negative charged surface: 122.683  Volume: 340.75
  Hydrophobic surface: 565.217  Hydrophilic surface: 42.044
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs01683250
ENAMINE-ZINC06602122