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


FDA-ZINC03831279

 MMsINC code: MMs01727204
Type: Neutral
Formula: C19H20FNO3
SMILES:   Fc1ccc(cc1)C1CCNCC1OCc1cc2OCOc2cc1
InChI:   InChI=1/C19H20FNO3/c20-15-4-2-14(3-5-15)16-7-8-21-10-19(16)22-11-13-1-6-17-18(9-13)24-12-23-17/h1-6,9,16,19,21H,7-8,10-12H2/t16-,19-/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)=82.3208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.371 g/mol  logS: -3.57264  SlogP: 3.4831  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10764  Sterimol/B1: 3.36442  Sterimol/B2: 4.05212  Sterimol/B3: 4.83984
  Sterimol/B4: 7.1404  Sterimol/L: 14.4656 
 
 Surface and Volume Properties
  Accessible surface: 554.824  Positive charged surface: 386.711  Negative charged surface: 168.113  Volume: 308.625
  Hydrophobic surface: 461.736  Hydrophilic surface: 93.088
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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


MMs01727205
FDA-ZINC03831279