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


FDA-ZINC03830289

 MMsINC code: MMs01726079
Type: Neutral
Formula: C24H31FO6
SMILES:   FC12C(C3CC(C)C(O)(C(=O)COC(=O)C)C3(CC1O)C)CCC1=CC(=O)C=CC12C
InChI:   InChI=1/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17+,18-,19-,21+,22+,23-,24-/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)=220.075 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.504 g/mol  logS: -3.7972  SlogP: 2.8864  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.208868  Sterimol/B1: 2.32169  Sterimol/B2: 4.539  Sterimol/B3: 5.84956
  Sterimol/B4: 6.96839  Sterimol/L: 15.7554 
 
 Surface and Volume Properties
  Accessible surface: 611.475  Positive charged surface: 395.793  Negative charged surface: 215.682  Volume: 394.5
  Hydrophobic surface: 386.359  Hydrophilic surface: 225.116
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 8
 
 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.