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


NIH-ZINC04215391

 MMsINC code: MMs02533662
Type: Neutral
Formula: C26H32ClFO5
SMILES:   ClCC(=O)C1(OC(=O)CCC)C2(CC(=O)C3(F)C(C2CC1C)CCC1=CC(=O)C=CC1
3C)C
InChI:   InChI=1/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3/t15-,18-,19-,23-,24-,25-,26-/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)=183.512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 478.988 g/mol  logS: -5.69605  SlogP: 5.1213  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.154526  Sterimol/B1: 2.22445  Sterimol/B2: 3.58006  Sterimol/B3: 5.99734
  Sterimol/B4: 7.6933  Sterimol/L: 18.1075 
 
 Surface and Volume Properties
  Accessible surface: 675.206  Positive charged surface: 392.709  Negative charged surface: 282.496  Volume: 434.25
  Hydrophobic surface: 436.751  Hydrophilic surface: 238.455
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 7
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.