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


CHEMSTAR-ZINC04526209

 MMsINC code: MMs01115545
Type: Neutral
Formula: C23H27NO4
SMILES:   O(C)c1ccc(cc1)\C=C(\NC(=O)c1ccc(cc1)C(C)(C)C)/C(OCC)=O
InChI:   InChI=1/C23H27NO4/c1-6-28-22(26)20(15-16-7-13-19(27-5)14-8-16)24-21(25)17-9-11-18(12-10-17)23(2,3)4/h7-15H,6H2,1-5H3,(H,24,25)/b20-15-

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)=149.048 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 381.472 g/mol  logS: -6.67562  SlogP: 4.3267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0713607  Sterimol/B1: 2.38238  Sterimol/B2: 3.53421  Sterimol/B3: 3.79166
  Sterimol/B4: 13.2088  Sterimol/L: 14.7843 
 
 Surface and Volume Properties
  Accessible surface: 683.412  Positive charged surface: 452.942  Negative charged surface: 230.47  Volume: 386.25
  Hydrophobic surface: 539.848  Hydrophilic surface: 143.564
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.