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


PUBCHEM-ZINC02509693

 MMsINC code: MMs02890850
Type: Neutral
Formula: C8H10FN
SMILES:   Fc1cc(C)c(cc1)CN
InChI:   InChI=1/C8H10FN/c1-6-4-8(9)3-2-7(6)5-10/h2-4H,5,10H2,1H3

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)=24.0316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 139.173 g/mol  logS: -1.8187  SlogP: 1.85922  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103917  Sterimol/B1: 2.35756  Sterimol/B2: 2.51441  Sterimol/B3: 2.9281
  Sterimol/B4: 6.03203  Sterimol/L: 10.0077 
 
 Surface and Volume Properties
  Accessible surface: 323.384  Positive charged surface: 200.202  Negative charged surface: 123.181  Volume: 141.625
  Hydrophobic surface: 253.348  Hydrophilic surface: 70.036
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  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:  
   

Ions/Tautomers related molecules


MMs02890851
PUBCHEM-ZINC02509693