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


PUBCHEM-ZINC03740686

 MMsINC code: MMs03066462
Type: Neutral
Formula: C20H22F2N2O2
SMILES:   Fc1cc(F)cc2c1[nH]c(-c1cc(OC)c(OC)cc1)c2CCCCN
InChI:   InChI=1/C20H22F2N2O2/c1-25-17-7-6-12(9-18(17)26-2)19-14(5-3-4-8-23)15-10-13(21)11-16(22)20(15)24-19/h6-7,9-11,24H,3-5,8,23H2,1-2H3

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)=69.4071 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.404 g/mol  logS: -4.89061  SlogP: 4.41167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186085  Sterimol/B1: 2.43461  Sterimol/B2: 6.08671  Sterimol/B3: 6.30936
  Sterimol/B4: 7.44899  Sterimol/L: 16.0506 
 
 Surface and Volume Properties
  Accessible surface: 630.971  Positive charged surface: 446.086  Negative charged surface: 180.541  Volume: 339.75
  Hydrophobic surface: 524.398  Hydrophilic surface: 106.573
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03066463
PUBCHEM-ZINC03740686