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


ENAMINE-ZINC03480981

 MMsINC code: MMs01466003
Type: Neutral
Formula: C24H23N3O7S
SMILES:   S(=O)(=O)(N(Cc1ccccc1)c1ccc(OC)cc1)c1cc(ccc1)C(OCC(=O)NC(=O)
N)=O
InChI:   InChI=1/C24H23N3O7S/c1-33-20-12-10-19(11-13-20)27(15-17-6-3-2-4-7-17)35(31,32)21-9-5-8-18(14-21)23(29)34-16-22(28)26-24(25)30/h2-14H,15-16H2,1H3,(H3,25,26,28,30)

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)=87.8663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 497.528 g/mol  logS: -5.8294  SlogP: 2.7088  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0391962  Sterimol/B1: 2.52364  Sterimol/B2: 3.71982  Sterimol/B3: 4.26919
  Sterimol/B4: 11.4797  Sterimol/L: 22.4235 
 
 Surface and Volume Properties
  Accessible surface: 777.865  Positive charged surface: 478.011  Negative charged surface: 299.854  Volume: 439.625
  Hydrophobic surface: 515.466  Hydrophilic surface: 262.399
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.