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


PUBCHEM-ZINC03734377

 MMsINC code: MMs03062876
Type: Neutral
Formula: C11H13F2N
SMILES:   Fc1cc(F)ccc1C1NCCC1C
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/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)=35.8142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.228 g/mol  logS: -2.46949  SlogP: 2.7308  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.21168  Sterimol/B1: 2.15873  Sterimol/B2: 2.17027  Sterimol/B3: 4.52858
  Sterimol/B4: 5.11342  Sterimol/L: 11.1255 
 
 Surface and Volume Properties
  Accessible surface: 374.534  Positive charged surface: 241.453  Negative charged surface: 133.08  Volume: 185.375
  Hydrophobic surface: 334.112  Hydrophilic surface: 40.422
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  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:  
   

Ions/Tautomers related molecules


MMs03062877
PUBCHEM-ZINC03734377