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


PUBCHEM-ZINC05915092

 MMsINC code: MMs03442347
Type: Neutral
Formula: C24H28F2N2O2
SMILES:   Fc1ccc(cc1)C(=O)NC1CC(CC(C1)(C)C)(CNC(=O)c1ccc(F)cc1)C
InChI:   InChI=1/C24H28F2N2O2/c1-23(2)12-20(28-22(30)17-6-10-19(26)11-7-17)13-24(3,14-23)15-27-21(29)16-4-8-18(25)9-5-16/h4-11,20H,12-15H2,1-3H3,(H,27,29)(H,28,30)/t20-,24+/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)=101.238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.496 g/mol  logS: -6.3259  SlogP: 4.7096  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0934102  Sterimol/B1: 2.70221  Sterimol/B2: 4.16806  Sterimol/B3: 5.22469
  Sterimol/B4: 8.60047  Sterimol/L: 17.4307 
 
 Surface and Volume Properties
  Accessible surface: 673.041  Positive charged surface: 374.35  Negative charged surface: 298.691  Volume: 397.625
  Hydrophobic surface: 568.299  Hydrophilic surface: 104.742
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.