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


PUBCHEM-ZINC00732704

 MMsINC code: MMs02734056
Type: Neutral
Formula: C20H20ClFN4O
SMILES:   Clc1ccc(-n2nc(cc2NC(=O)Nc2ccccc2F)C(C)(C)C)cc1
InChI:   InChI=1/C20H20ClFN4O/c1-20(2,3)17-12-18(26(25-17)14-10-8-13(21)9-11-14)24-19(27)23-16-7-5-4-6-15(16)22/h4-12H,1-3H3,(H2,23,24,27)

Download   format file 
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)=110.613 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.858 g/mol  logS: -5.66519  SlogP: 5.6063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0548339  Sterimol/B1: 2.21584  Sterimol/B2: 2.82463  Sterimol/B3: 4.91607
  Sterimol/B4: 11.9154  Sterimol/L: 15.1499 
 
 Surface and Volume Properties
  Accessible surface: 655.135  Positive charged surface: 333.8  Negative charged surface: 321.335  Volume: 354.5
  Hydrophobic surface: 553.706  Hydrophilic surface: 101.429
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.