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


PUBCHEM-ZINC05434273

 MMsINC code: MMs03268737
Type: Neutral
Formula: C24H31FO4
SMILES:   FCC(=O)C1(OC(=O)C)CCC2C3C(CCC12C)C1(C(=CC(=O)CC1)C(C3)=C)C
InChI:   InChI=1/C24H31FO4/c1-14-11-17-18(22(3)8-5-16(27)12-20(14)22)6-9-23(4)19(17)7-10-24(23,21(28)13-25)29-15(2)26/h12,17-19H,1,5-11,13H2,2-4H3/t17-,18+,19+,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)=149.437 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.506 g/mol  logS: -6.04123  SlogP: 4.5249  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.18785  Sterimol/B1: 2.3446  Sterimol/B2: 3.88661  Sterimol/B3: 6.21964
  Sterimol/B4: 6.82451  Sterimol/L: 15.5678 
 
 Surface and Volume Properties
  Accessible surface: 597.297  Positive charged surface: 351.337  Negative charged surface: 245.96  Volume: 385.75
  Hydrophobic surface: 404.235  Hydrophilic surface: 193.062
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 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.