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


OTAVA-ZINC01992886

 MMsINC code: MMs02579075
Type: Neutral
Formula: C24H20ClNO2
SMILES:   Clc1ccc(cc1)C=1Oc2c(cc(OCC)cc2)/C(=N\Cc2ccccc2)/C=1
InChI:   InChI=1/C24H20ClNO2/c1-2-27-20-12-13-23-21(14-20)22(26-16-17-6-4-3-5-7-17)15-24(28-23)18-8-10-19(25)11-9-18/h3-15H,2,16H2,1H3/b26-22+

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)=111.744 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.882 g/mol  logS: -7.52304  SlogP: 6.4279  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0542798  Sterimol/B1: 3.69865  Sterimol/B2: 4.02954  Sterimol/B3: 7.17601
  Sterimol/B4: 7.89931  Sterimol/L: 18.0081 
 
 Surface and Volume Properties
  Accessible surface: 691.211  Positive charged surface: 375.783  Negative charged surface: 315.428  Volume: 378.625
  Hydrophobic surface: 642.33  Hydrophilic surface: 48.881
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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


MMs02579076
OTAVA-ZINC01992886