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


ASINEX-ZINC05027365

 MMsINC code: MMs00438787
Type: Neutral
Formula: C24H23ClN2O3
SMILES:   Clc1cc(C2NC(N=C(C2)c2ccccc2)c2cc(OC)c(OC)cc2)c(O)cc1
InChI:   InChI=1/C24H23ClN2O3/c1-29-22-11-8-16(12-23(22)30-2)24-26-19(15-6-4-3-5-7-15)14-20(27-24)18-13-17(25)9-10-21(18)28/h3-13,20,24,27-28H,14H2,1-2H3/t20-,24-/m0/s1

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)=104.606 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.912 g/mol  logS: -5.47189  SlogP: 5.4763  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0644072  Sterimol/B1: 3.38011  Sterimol/B2: 4.12097  Sterimol/B3: 4.47459
  Sterimol/B4: 10.9932  Sterimol/L: 15.9976 
 
 Surface and Volume Properties
  Accessible surface: 689.474  Positive charged surface: 415.213  Negative charged surface: 274.261  Volume: 396.75
  Hydrophobic surface: 619.149  Hydrophilic surface: 70.325
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.