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


ENAMINE-ZINC03613510

 MMsINC code: MMs01524675
Type: Neutral
Formula: C20H22F2N2O2
SMILES:   Fc1ccc(cc1)CCNC(=O)C(NC(=O)c1ccc(F)cc1)C(C)C
InChI:   InChI=1/C20H22F2N2O2/c1-13(2)18(24-19(25)15-5-9-17(22)10-6-15)20(26)23-12-11-14-3-7-16(21)8-4-14/h3-10,13,18H,11-12H2,1-2H3,(H,23,26)(H,24,25)/t18-/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)=77.0943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.404 g/mol  logS: -4.85366  SlogP: 3.07807  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0620283  Sterimol/B1: 2.4275  Sterimol/B2: 3.57317  Sterimol/B3: 3.85962
  Sterimol/B4: 7.47522  Sterimol/L: 19.407 
 
 Surface and Volume Properties
  Accessible surface: 631.931  Positive charged surface: 347.866  Negative charged surface: 284.066  Volume: 340.875
  Hydrophobic surface: 536.447  Hydrophilic surface: 95.484
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.