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


ENAMINE-ZINC02636624

 MMsINC code: MMs01266059
Type: Neutral
Formula: C24H20N2OS
SMILES:   S(CC(=O)Nc1ccccc1Cc1ccccc1)c1nc2c(cc1)cccc2
InChI:   InChI=1/C24H20N2OS/c27-23(17-28-24-15-14-19-10-4-6-12-21(19)26-24)25-22-13-7-5-11-20(22)16-18-8-2-1-3-9-18/h1-15H,16-17H2,(H,25,27)

Download   format file 
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)=106.614 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.503 g/mol  logS: -7.10544  SlogP: 5.55637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.076995  Sterimol/B1: 2.16833  Sterimol/B2: 2.31922  Sterimol/B3: 5.82458
  Sterimol/B4: 9.14252  Sterimol/L: 17.5781 
 
 Surface and Volume Properties
  Accessible surface: 659.341  Positive charged surface: 354.717  Negative charged surface: 299.065  Volume: 375.375
  Hydrophobic surface: 581.435  Hydrophilic surface: 77.906
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.