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


ASINEX-ZINC00825777

 MMsINC code: MMs00182871
Type: Neutral
Formula: C23H18ClNO
SMILES:   Clc1ccc(NC(=O)C2C3c4c(C(C2)c2c3cccc2)cccc4)cc1
InChI:   InChI=1/C23H18ClNO/c24-14-9-11-15(12-10-14)25-23(26)21-13-20-16-5-1-3-7-18(16)22(21)19-8-4-2-6-17(19)20/h1-12,20-22H,13H2,(H,25,26)/t20-,21-,22+/m1/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)=112.871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.856 g/mol  logS: -6.24562  SlogP: 5.5758  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.166942  Sterimol/B1: 2.4308  Sterimol/B2: 3.23077  Sterimol/B3: 5.02695
  Sterimol/B4: 7.2247  Sterimol/L: 17.3979 
 
 Surface and Volume Properties
  Accessible surface: 596.971  Positive charged surface: 316.931  Negative charged surface: 280.04  Volume: 339.5
  Hydrophobic surface: 574.92  Hydrophilic surface: 22.051
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.