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


ENAMINE-ZINC03515133

 MMsINC code: MMs01485632
Type: Neutral
Formula: C25H26N2O6S
SMILES:   S(=O)(=O)(N(C)c1ccc(cc1)C)c1cc(ccc1)C(OC(C(=O)Nc1ccccc1OC)C)
=O
InChI:   InChI=1/C25H26N2O6S/c1-17-12-14-20(15-13-17)27(3)34(30,31)21-9-7-8-19(16-21)25(29)33-18(2)24(28)26-22-10-5-6-11-23(22)32-4/h5-16,18H,1-4H3,(H,26,28)/t18-/m1/s1

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)=128.29 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.557 g/mol  logS: -6.35197  SlogP: 4.01272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0673315  Sterimol/B1: 1.969  Sterimol/B2: 3.78994  Sterimol/B3: 5.11229
  Sterimol/B4: 11.0542  Sterimol/L: 19.1424 
 
 Surface and Volume Properties
  Accessible surface: 789.342  Positive charged surface: 488.598  Negative charged surface: 300.745  Volume: 445
  Hydrophobic surface: 651.179  Hydrophilic surface: 138.163
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.