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


PUBCHEM-ZINC06222104

 MMsINC code: MMs03618130
Type: Neutral
Formula: C24H23ClN2O3
SMILES:   Clc1c2nc(cc(c2ccc1)C(=O)NC1CCCCC1)-c1cc2OCCOc2cc1
InChI:   InChI=1/C24H23ClN2O3/c25-19-8-4-7-17-18(24(28)26-16-5-2-1-3-6-16)14-20(27-23(17)19)15-9-10-21-22(13-15)30-12-11-29-21/h4,7-10,13-14,16H,1-3,5-6,11-12H2,(H,26,28)

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)=108.337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.912 g/mol  logS: -6.96976  SlogP: 5.3889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0270402  Sterimol/B1: 2.81581  Sterimol/B2: 3.25299  Sterimol/B3: 3.47984
  Sterimol/B4: 10.1748  Sterimol/L: 18.4562 
 
 Surface and Volume Properties
  Accessible surface: 687.341  Positive charged surface: 431.938  Negative charged surface: 244.872  Volume: 392.25
  Hydrophobic surface: 623.182  Hydrophilic surface: 64.159
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.