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


IBS-ZINC02406574

 MMsINC code: MMs01853781
Type: Neutral
Formula: C26H29NO3
SMILES:   O(C)c1ccccc1C(CC(=O)NCc1ccccc1)c1ccc(OC(C)C)cc1
InChI:   InChI=1/C26H29NO3/c1-19(2)30-22-15-13-21(14-16-22)24(23-11-7-8-12-25(23)29-3)17-26(28)27-18-20-9-5-4-6-10-20/h4-16,19,24H,17-18H2,1-3H3,(H,27,28)/t24-/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)=110.139 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 403.522 g/mol  logS: -5.63994  SlogP: 5.5872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.095545  Sterimol/B1: 2.41581  Sterimol/B2: 4.67033  Sterimol/B3: 5.11601
  Sterimol/B4: 9.67901  Sterimol/L: 19.3628 
 
 Surface and Volume Properties
  Accessible surface: 742.117  Positive charged surface: 493.673  Negative charged surface: 248.443  Volume: 418.375
  Hydrophobic surface: 658.16  Hydrophilic surface: 83.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.