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


ENAMINE-ZINC01779603

 MMsINC code: MMs01244190
Type: Neutral
Formula: C27H23F3N2O3
SMILES:   FC(F)(F)c1cc(ccc1)C(=O)N(CCCCN1C(=O)c2c(cccc2)C1=O)c1ccc(cc1
)C
InChI:   InChI=1/C27H23F3N2O3/c1-18-11-13-21(14-12-18)31(24(33)19-7-6-8-20(17-19)27(28,29)30)15-4-5-16-32-25(34)22-9-2-3-10-23(22)26(32)35/h2-3,6-14,17H,4-5,15-16H2,1H3

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)=179.886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.486 g/mol  logS: -7.52708  SlogP: 6.04852  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0329133  Sterimol/B1: 2.1083  Sterimol/B2: 3.3031  Sterimol/B3: 3.45264
  Sterimol/B4: 13.7973  Sterimol/L: 17.8633 
 
 Surface and Volume Properties
  Accessible surface: 745.115  Positive charged surface: 363.966  Negative charged surface: 381.149  Volume: 429.125
  Hydrophobic surface: 544.864  Hydrophilic surface: 200.251
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.