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


ASINEX-ZINC04231114

 MMsINC code: MMs00320614
Type: Neutral
Formula: C24H28N2O3S
SMILES:   s1cccc1CN(C(=O)C1CCCCC1)CC1=Cc2cc(OCC)ccc2NC1=O
InChI:   InChI=1/C24H28N2O3S/c1-2-29-20-10-11-22-18(14-20)13-19(23(27)25-22)15-26(16-21-9-6-12-30-21)24(28)17-7-4-3-5-8-17/h6,9-14,17H,2-5,7-8,15-16H2,1H3,(H,25,27)

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)=68.5682 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.565 g/mol  logS: -6.09804  SlogP: 5.3578  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0513824  Sterimol/B1: 3.23989  Sterimol/B2: 3.93601  Sterimol/B3: 4.27276
  Sterimol/B4: 7.17321  Sterimol/L: 19.1542 
 
 Surface and Volume Properties
  Accessible surface: 702.644  Positive charged surface: 459.262  Negative charged surface: 243.382  Volume: 409.375
  Hydrophobic surface: 589.079  Hydrophilic surface: 113.565
 
 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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.