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


CHEMDIV-ZINC02921247

 MMsINC code: MMs00891342
Type: Neutral
Formula: C25H27N3O4S
SMILES:   S(=O)(=O)(N(CC)CC)c1cc(ccc1)C(=O)Nc1ccccc1C(=O)Nc1cc(ccc1)C
InChI:   InChI=1/C25H27N3O4S/c1-4-28(5-2)33(31,32)21-13-9-11-19(17-21)24(29)27-23-15-7-6-14-22(23)25(30)26-20-12-8-10-18(3)16-20/h6-17H,4-5H2,1-3H3,(H,26,30)(H,27,29)

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)=106.385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 465.574 g/mol  logS: -6.36676  SlogP: 4.53012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0660522  Sterimol/B1: 2.42922  Sterimol/B2: 6.63116  Sterimol/B3: 6.82464
  Sterimol/B4: 7.24393  Sterimol/L: 19.0919 
 
 Surface and Volume Properties
  Accessible surface: 754.369  Positive charged surface: 435.701  Negative charged surface: 318.667  Volume: 440
  Hydrophobic surface: 606.208  Hydrophilic surface: 148.161
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.