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


ASINEX-ZINC04997837

 MMsINC code: MMs00427109
Type: Neutral
Formula: C18H18FNO
SMILES:   Fc1cc2C3OCCCC3C(Nc2cc1)c1ccccc1
InChI:   InChI=1/C18H18FNO/c19-13-8-9-16-15(11-13)18-14(7-4-10-21-18)17(20-16)12-5-2-1-3-6-12/h1-3,5-6,8-9,11,14,17-18,20H,4,7,10H2/t14-,17-,18-/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)=63.1498 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.346 g/mol  logS: -4.13797  SlogP: 4.6512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.09714  Sterimol/B1: 3.16609  Sterimol/B2: 3.17668  Sterimol/B3: 3.18364
  Sterimol/B4: 6.83122  Sterimol/L: 14.363 
 
 Surface and Volume Properties
  Accessible surface: 487.093  Positive charged surface: 298.545  Negative charged surface: 188.548  Volume: 274.5
  Hydrophobic surface: 468.216  Hydrophilic surface: 18.877
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.