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


PUBCHEM-ZINC02038065

 MMsINC code: MMs02862398
Type: Neutral
Formula: C20H21ClFN3O
SMILES:   Clc1cc2c(N(CCCN(C)C)C(=O)CN=C2c2ccccc2F)cc1
InChI:   InChI=1/C20H21ClFN3O/c1-24(2)10-5-11-25-18-9-8-14(21)12-16(18)20(23-13-19(25)26)15-6-3-4-7-17(15)22/h3-4,6-9,12H,5,10-11,13H2,1-2H3

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)=115.625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.859 g/mol  logS: -4.92633  SlogP: 3.6148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.209849  Sterimol/B1: 4.03233  Sterimol/B2: 4.25711  Sterimol/B3: 6.60454
  Sterimol/B4: 6.75296  Sterimol/L: 14.9871 
 
 Surface and Volume Properties
  Accessible surface: 613.706  Positive charged surface: 389.23  Negative charged surface: 224.476  Volume: 350.875
  Hydrophobic surface: 567.988  Hydrophilic surface: 45.718
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02862399
PUBCHEM-ZINC02038065