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


PUBCHEM-ZINC00640320

 MMsINC code: MMs02718013
Type: Neutral
Formula: C26H28N2O5
SMILES:   O(C)c1cc(NC2N(CCc3c2cc(OC)c(OC)c3)C(=O)c2ccccc2)ccc1OC
InChI:   InChI=1/C26H28N2O5/c1-30-21-11-10-19(15-23(21)32-3)27-25-20-16-24(33-4)22(31-2)14-18(20)12-13-28(25)26(29)17-8-6-5-7-9-17/h5-11,14-16,25,27H,12-13H2,1-4H3/t25-/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)=164.435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 448.519 g/mol  logS: -5.04984  SlogP: 4.62567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178262  Sterimol/B1: 2.09864  Sterimol/B2: 6.48456  Sterimol/B3: 7.45597
  Sterimol/B4: 9.77217  Sterimol/L: 17.2845 
 
 Surface and Volume Properties
  Accessible surface: 753.102  Positive charged surface: 563.3  Negative charged surface: 189.802  Volume: 432.375
  Hydrophobic surface: 685.341  Hydrophilic surface: 67.761
 
 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.