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


ENAMINE-ZINC03510048

 MMsINC code: MMs01482176
Type: Neutral
Formula: C18H16FNO4
SMILES:   Fc1ccc(cc1)C(OC(C(=O)Nc1cc(ccc1)C(=O)C)C)=O
InChI:   InChI=1/C18H16FNO4/c1-11(21)14-4-3-5-16(10-14)20-17(22)12(2)24-18(23)13-6-8-15(19)9-7-13/h3-10,12H,1-2H3,(H,20,22)/t12-/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)=90.6423 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.327 g/mol  logS: -4.6975  SlogP: 3.2123  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0436082  Sterimol/B1: 2.16651  Sterimol/B2: 2.29887  Sterimol/B3: 5.12728
  Sterimol/B4: 7.0229  Sterimol/L: 17.1677 
 
 Surface and Volume Properties
  Accessible surface: 586.399  Positive charged surface: 305.929  Negative charged surface: 280.47  Volume: 301.875
  Hydrophobic surface: 456.413  Hydrophilic surface: 129.986
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.