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


CHEMBRIDGE-ZINC04842556

 MMsINC code: MMs00799874
Type: Neutral
Formula: C19H18FNO
SMILES:   Fc1ccc(cc1)-c1oc(cc1)CNC(C)c1ccccc1
InChI:   InChI=1/C19H18FNO/c1-14(15-5-3-2-4-6-15)21-13-18-11-12-19(22-18)16-7-9-17(20)10-8-16/h2-12,14,21H,13H2,1H3/t14-/m1/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)=57.0164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.357 g/mol  logS: -5.66222  SlogP: 5.2984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0934816  Sterimol/B1: 2.06868  Sterimol/B2: 3.90471  Sterimol/B3: 4.54344
  Sterimol/B4: 6.1545  Sterimol/L: 17.8067 
 
 Surface and Volume Properties
  Accessible surface: 580.581  Positive charged surface: 317.906  Negative charged surface: 262.674  Volume: 296.25
  Hydrophobic surface: 539.363  Hydrophilic surface: 41.218
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs00799875
CHEMBRIDGE-ZINC04842556