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


AURORAFEINCHEMIE-ZINC06640885

 MMsINC code: MMs00477163
Type: Neutral
Formula: C19H27FN2O4
SMILES:   Fc1ccccc1C(=O)NC(C(C)C)C(=O)NC(C(CC)C)C(OC)=O
InChI:   InChI=1/C19H27FN2O4/c1-6-12(4)16(19(25)26-5)22-18(24)15(11(2)3)21-17(23)13-9-7-8-10-14(13)20/h7-12,15-16H,6H2,1-5H3,(H,21,23)(H,22,24)/t12-,15-,16+/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)=94.2043 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.433 g/mol  logS: -4.38345  SlogP: 2.284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130742  Sterimol/B1: 2.33419  Sterimol/B2: 3.50189  Sterimol/B3: 5.67133
  Sterimol/B4: 7.04808  Sterimol/L: 17.7067 
 
 Surface and Volume Properties
  Accessible surface: 622.921  Positive charged surface: 395.268  Negative charged surface: 227.653  Volume: 355.375
  Hydrophobic surface: 471.85  Hydrophilic surface: 151.071
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.