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


PUBCHEM-ZINC03734379

 MMsINC code: MMs03062881
Type: Ionized
Formula: C11H14F2N+
SMILES:   Fc1cc(F)ccc1C1[NH2+]CCC1C
InChI:   InChI=1/C11H13F2N/c1-7-4-5-14-11(7)9-3-2-8(12)6-10(9)13/h2-3,6-7,11,14H,4-5H2,1H3/p+1/t7-,11-/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)=22.7942 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.236 g/mol  logS: -2.4451  SlogP: 1.7046  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21109  Sterimol/B1: 2.28472  Sterimol/B2: 2.50201  Sterimol/B3: 4.86592
  Sterimol/B4: 4.93149  Sterimol/L: 11.2373 
 
 Surface and Volume Properties
  Accessible surface: 388.311  Positive charged surface: 247.063  Negative charged surface: 141.247  Volume: 191.125
  Hydrophobic surface: 324.798  Hydrophilic surface: 63.513
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 2
 
 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:


MMs03062880
PUBCHEM-ZINC03734379