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


ASINEX-ZINC00918432

 MMsINC code: MMs00219891
Type: Neutral
Formula: C27H26N2O6S
SMILES:   S(=O)(=O)(N(CC1=Cc2cc(OC)ccc2NC1=O)CCc1ccccc1)c1ccc(cc1)C(OC
)=O
InChI:   InChI=1/C27H26N2O6S/c1-34-23-10-13-25-21(17-23)16-22(26(30)28-25)18-29(15-14-19-6-4-3-5-7-19)36(32,33)24-11-8-20(9-12-24)27(31)35-2/h3-13,16-17H,14-15,18H2,1-2H3,(H,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)=98.724 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 506.579 g/mol  logS: -6.19416  SlogP: 3.75087  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122673  Sterimol/B1: 2.85682  Sterimol/B2: 4.01962  Sterimol/B3: 5.73518
  Sterimol/B4: 8.07002  Sterimol/L: 18.6211 
 
 Surface and Volume Properties
  Accessible surface: 728.2  Positive charged surface: 451.603  Negative charged surface: 276.597  Volume: 461.875
  Hydrophobic surface: 576.297  Hydrophilic surface: 151.903
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.