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


MICROSOURCE-ZINC03872772

 MMsINC code: MMs02188186
Type: Neutral
Formula: C24H32ClFO5
SMILES:   ClCC(=O)C12OC(OC1CC1C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC12C)(C)C
InChI:   InChI=1/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16+,17+,19+,21-,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)=189.638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.966 g/mol  logS: -4.66832  SlogP: 4.3092  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.250954  Sterimol/B1: 2.8332  Sterimol/B2: 3.99034  Sterimol/B3: 4.45796
  Sterimol/B4: 7.58564  Sterimol/L: 15.0989 
 
 Surface and Volume Properties
  Accessible surface: 582.286  Positive charged surface: 345.347  Negative charged surface: 236.94  Volume: 405.25
  Hydrophobic surface: 365.022  Hydrophilic surface: 217.264
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.