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


ENAMINE-ZINC03344349

 MMsINC code: MMs01385168
Type: Neutral
Formula: C20H20FN3O3
SMILES:   Fc1ccc(cc1)C(=O)NNC(=O)C1CC(=O)N(C1)Cc1ccc(cc1)C
InChI:   InChI=1/C20H20FN3O3/c1-13-2-4-14(5-3-13)11-24-12-16(10-18(24)25)20(27)23-22-19(26)15-6-8-17(21)9-7-15/h2-9,16H,10-12H2,1H3,(H,22,26)(H,23,27)/t16-/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)=70.7468 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.396 g/mol  logS: -4.20612  SlogP: 2.21022  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0478302  Sterimol/B1: 2.31317  Sterimol/B2: 2.89543  Sterimol/B3: 4.50757
  Sterimol/B4: 7.7384  Sterimol/L: 19.2533 
 
 Surface and Volume Properties
  Accessible surface: 638.975  Positive charged surface: 362.878  Negative charged surface: 276.096  Volume: 344.125
  Hydrophobic surface: 503.943  Hydrophilic surface: 135.032
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.