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


CHEMDIV-ZINC05201049

MMsINC code: MMs00995211

Type: Neutral
Formula: C25H24N2O4
SMILES:   o1c2c(nc1-c1cc(NC(=O)COc3ccc(cc3)C(C)(C)C)ccc1O)cccc2
InChI:   InChI=1/C25H24N2O4/c1-25(2,3)16-8-11-18(12-9-16)30-15-23(29)26-17-10-13-21(28)19(14-17)24-27-20-6-4-5-7-22(20)31-24/h4-14,28H,15H2,1-3H3,(H,26,29)

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)=134.352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.477 g/mol  logS: -8.40499  SlogP: 5.5154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0171199  Sterimol/B1: 2.50722  Sterimol/B2: 4.18055  Sterimol/B3: 4.54993
  Sterimol/B4: 8.23963  Sterimol/L: 21.0771 
 
 Surface and Volume Properties
  Accessible surface: 731.968  Positive charged surface: 453.62  Negative charged surface: 278.348  Volume: 404
  Hydrophobic surface: 556.503  Hydrophilic surface: 175.465
 
 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: 1  Oprea's lead like rule: 1

  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.