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


OTAVA-ZINC06166902

 MMsINC code: MMs02608715
Type: Neutral
Formula: C34H34F3NO6
SMILES:   FC(F)(F)C=1Oc2c(ccc(OC(=O)c3ccc(OCC)cc3)c2CN2CCC(CC2)C)C(=O)
C=1Oc1cc(C)c(cc1)C
InChI:   InChI=1/C34H34F3NO6/c1-5-41-24-10-7-23(8-11-24)33(40)43-28-13-12-26-29(39)31(42-25-9-6-21(3)22(4)18-25)32(34(35,36)37)44-30(26)27(28)19-38-16-14-20(2)15-17-38/h6-13,18,20H,5,14-17,19H2,1-4H3

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)=174.177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 609.641 g/mol  logS: -10.2626  SlogP: 8.26754  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0506118  Sterimol/B1: 2.42439  Sterimol/B2: 2.89574  Sterimol/B3: 5.79802
  Sterimol/B4: 10.1707  Sterimol/L: 24.2801 
 
 Surface and Volume Properties
  Accessible surface: 895.617  Positive charged surface: 545.011  Negative charged surface: 350.606  Volume: 554.75
  Hydrophobic surface: 709.625  Hydrophilic surface: 185.992
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02608716
OTAVA-ZINC06166902