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


CHEMDIV-ZINC02926442

 MMsINC code: MMs00892566
Type: Neutral
Formula: C24H22ClN3O2
SMILES:   Clc1cc(-n2c3c(nc2C)cc(cc3)C(=O)NCCc2ccccc2)c(OC)cc1
InChI:   InChI=1/C24H22ClN3O2/c1-16-27-20-14-18(24(29)26-13-12-17-6-4-3-5-7-17)8-10-21(20)28(16)22-15-19(25)9-11-23(22)30-2/h3-11,14-15H,12-13H2,1-2H3,(H,26,29)

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)=109.059 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.912 g/mol  logS: -6.27491  SlogP: 4.96839  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0665922  Sterimol/B1: 2.14095  Sterimol/B2: 4.27305  Sterimol/B3: 6.70759
  Sterimol/B4: 7.20868  Sterimol/L: 20.282 
 
 Surface and Volume Properties
  Accessible surface: 725.03  Positive charged surface: 415.84  Negative charged surface: 309.19  Volume: 400.75
  Hydrophobic surface: 654.298  Hydrophilic surface: 70.732
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.