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


ASINEX-ZINC00722306

 MMsINC code: MMs00153447
Type: Neutral
Formula: C24H24N2O3S
SMILES:   s1c2c(CCCC2)c(C(=O)Nc2ccc(OC)cc2)c1NC(=O)Cc1ccccc1
InChI:   InChI=1/C24H24N2O3S/c1-29-18-13-11-17(12-14-18)25-23(28)22-19-9-5-6-10-20(19)30-24(22)26-21(27)15-16-7-3-2-4-8-16/h2-4,7-8,11-14H,5-6,9-10,15H2,1H3,(H,25,28)(H,26,27)

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)=114.778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.533 g/mol  logS: -6.49053  SlogP: 5.06891  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0688351  Sterimol/B1: 2.15352  Sterimol/B2: 2.81883  Sterimol/B3: 4.59347
  Sterimol/B4: 12.8178  Sterimol/L: 18.2701 
 
 Surface and Volume Properties
  Accessible surface: 715.279  Positive charged surface: 473.063  Negative charged surface: 242.215  Volume: 402.125
  Hydrophobic surface: 644.771  Hydrophilic surface: 70.508
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.