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


CHEMSTAR-ZINC04122724

 MMsINC code: MMs01107358
Type: Neutral
Formula: C26H23ClF5N3O2
SMILES:   Clc1cc(NC(=O)COc2cc(C)c(cc2)C)ccc1N1CCN(CC1)c1c(F)c(F)c(F)c(
F)c1F
InChI:   InChI=1/C26H23ClF5N3O2/c1-14-3-5-17(11-15(14)2)37-13-20(36)33-16-4-6-19(18(27)12-16)34-7-9-35(10-8-34)26-24(31)22(29)21(28)23(30)25(26)32/h3-6,11-12H,7-10,13H2,1-2H3,(H,33,36)

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)=265.067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 539.932 g/mol  logS: -8.38672  SlogP: 5.99644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0150931  Sterimol/B1: 3.43472  Sterimol/B2: 3.54787  Sterimol/B3: 4.80219
  Sterimol/B4: 5.66302  Sterimol/L: 25.4694 
 
 Surface and Volume Properties
  Accessible surface: 802.612  Positive charged surface: 430.924  Negative charged surface: 371.689  Volume: 451.375
  Hydrophobic surface: 727.414  Hydrophilic surface: 75.198
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.