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


CHEMDIV-ZINC01916139

 MMsINC code: MMs00869474
Type: Neutral
Formula: C25H28F3NO4
SMILES:   FC(F)(F)C=1Oc2c(ccc(O)c2CN(CCC)CCC)C(=O)C=1Oc1cc(ccc1C)C
InChI:   InChI=1/C25H28F3NO4/c1-5-11-29(12-6-2)14-18-19(30)10-9-17-21(31)23(24(25(26,27)28)33-22(17)18)32-20-13-15(3)7-8-16(20)4/h7-10,13,30H,5-6,11-12,14H2,1-4H3

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)=113.831 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 463.496 g/mol  logS: -6.88417  SlogP: 6.74534  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.130863  Sterimol/B1: 2.51796  Sterimol/B2: 4.22487  Sterimol/B3: 6.44751
  Sterimol/B4: 6.93712  Sterimol/L: 18.1037 
 
 Surface and Volume Properties
  Accessible surface: 714.946  Positive charged surface: 430.523  Negative charged surface: 284.423  Volume: 425.125
  Hydrophobic surface: 530.581  Hydrophilic surface: 184.365
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00869475
CHEMDIV-ZINC01916139