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


PUBCHEM-ZINC01998855

 MMsINC code: MMs02841346
Type: Neutral
Formula: C14H23N2O2+
SMILES:   O(C(=O)NC)c1ccc(cc1C([N+](C)(C)C)C)C
InChI:   InChI=1/C14H22N2O2/c1-10-7-8-13(18-14(17)15-3)12(9-10)11(2)16(4,5)6/h7-9,11H,1-6H3/p+1/t11-/m1/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)=80.614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.35 g/mol  logS: -2.11446  SlogP: 2.57592  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.219358  Sterimol/B1: 3.03584  Sterimol/B2: 3.75612  Sterimol/B3: 4.22812
  Sterimol/B4: 7.51177  Sterimol/L: 13.2379 
 
 Surface and Volume Properties
  Accessible surface: 482.557  Positive charged surface: 386.392  Negative charged surface: 96.1648  Volume: 263.125
  Hydrophobic surface: 373.015  Hydrophilic surface: 109.542
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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.