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


PUBCHEM-ZINC05576096

 MMsINC code: MMs03311892
Type: Neutral
Formula: C24H31FO3
SMILES:   FC=1C2=CC(=O)C3C(C3)C2(C2C(C3CCC(OCC)(C(=O)C)C3(CC2)C)C=1)C
InChI:   InChI=1/C24H31FO3/c1-5-28-24(13(2)26)9-7-16-14-11-20(25)19-12-21(27)15-10-18(15)23(19,4)17(14)6-8-22(16,24)3/h11-12,14-18H,5-10H2,1-4H3/t14-,15-,16-,17+,18+,22-,23+,24-/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)=138.894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.507 g/mol  logS: -4.81262  SlogP: 4.9206  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.236205  Sterimol/B1: 2.21737  Sterimol/B2: 2.33147  Sterimol/B3: 6.5486
  Sterimol/B4: 7.06578  Sterimol/L: 14.8921 
 
 Surface and Volume Properties
  Accessible surface: 578.993  Positive charged surface: 360.827  Negative charged surface: 218.166  Volume: 376
  Hydrophobic surface: 436.775  Hydrophilic surface: 142.218
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.