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


NCID-ZINC05922955

 MMsINC code: MMs02511395
Type: Neutral
Formula: C32H32N2O5
SMILES:   O(C)c1c(OC)cc(cc1OC)C(N1C(CCC1=O)C(=O)NCc1ccccc1)c1c2c(ccc1)
cccc2
InChI:   InChI=1/C32H32N2O5/c1-37-27-18-23(19-28(38-2)31(27)39-3)30(25-15-9-13-22-12-7-8-14-24(22)25)34-26(16-17-29(34)35)32(36)33-20-21-10-5-4-6-11-21/h4-15,18-19,26,30H,16-17,20H2,1-3H3,(H,33,36)/t26-,30+/m0/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)=175.981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 524.617 g/mol  logS: -7.39494  SlogP: 5.6243  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.227962  Sterimol/B1: 2.12863  Sterimol/B2: 2.58613  Sterimol/B3: 8.29734
  Sterimol/B4: 10.2676  Sterimol/L: 18.1893 
 
 Surface and Volume Properties
  Accessible surface: 773.971  Positive charged surface: 533.728  Negative charged surface: 231.897  Volume: 506.875
  Hydrophobic surface: 712.834  Hydrophilic surface: 61.137
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.