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


CHEMBRIDGE-ZINC02499363

 MMsINC code: MMs00711872
Type: Tautomer
Formula: C15H26F2N2+2
SMILES:   Fc1cc(F)ccc1C[NH+](CC[NH+](CC)CC)CC
InChI:   InChI=1/C15H24F2N2/c1-4-18(5-2)9-10-19(6-3)12-13-7-8-14(16)11-15(13)17/h7-8,11H,4-6,9-10,12H2,1-3H3/p+2

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)=63.8811 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.383 g/mol  logS: -2.67703  SlogP: 0.5607  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0686111  Sterimol/B1: 2.35367  Sterimol/B2: 3.17049  Sterimol/B3: 3.26412
  Sterimol/B4: 7.50518  Sterimol/L: 16.1217 
 
 Surface and Volume Properties
  Accessible surface: 536.438  Positive charged surface: 370.629  Negative charged surface: 165.808  Volume: 290.375
  Hydrophobic surface: 436.942  Hydrophilic surface: 99.496
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  Chiral centers: 0
 
 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:  
   
Parent related molecule:


MMs00711871
CHEMBRIDGE-ZINC02499363