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


ENAMINE-ZINC05792423

 MMsINC code: MMs01639210
Type: Neutral
Formula: C21H21F2N3O4
SMILES:   Fc1ccc(F)cc1C1(NC(=O)N(CC(=O)N(Cc2ccccc2OC)C)C1=O)C
InChI:   InChI=1/C21H21F2N3O4/c1-21(15-10-14(22)8-9-16(15)23)19(28)26(20(29)24-21)12-18(27)25(2)11-13-6-4-5-7-17(13)30-3/h4-10H,11-12H2,1-3H3,(H,24,29)/t21-/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)=72.1917 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.412 g/mol  logS: -4.60442  SlogP: 2.9769  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0993657  Sterimol/B1: 2.374  Sterimol/B2: 3.3619  Sterimol/B3: 5.35946
  Sterimol/B4: 7.36596  Sterimol/L: 16.1217 
 
 Surface and Volume Properties
  Accessible surface: 653.539  Positive charged surface: 409.345  Negative charged surface: 244.193  Volume: 368.875
  Hydrophobic surface: 526.178  Hydrophilic surface: 127.361
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.