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


CHEMDIV-ZINC06940718

 MMsINC code: MMs01066053
Type: Neutral
Formula: C25H26FNO4
SMILES:   Fc1cc(ccc1)CNC(=O)c1oc2c(c3c(OC4(CC3O)CCCCC4)cc2)c1C
InChI:   InChI=1/C25H26FNO4/c1-15-21-19(30-23(15)24(29)27-14-16-6-5-7-17(26)12-16)8-9-20-22(21)18(28)13-25(31-20)10-3-2-4-11-25/h5-9,12,18,28H,2-4,10-11,13-14H2,1H3,(H,27,29)/t18-/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)=83.5435 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.484 g/mol  logS: -6.99576  SlogP: 5.69102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0473993  Sterimol/B1: 2.10551  Sterimol/B2: 3.74926  Sterimol/B3: 4.19506
  Sterimol/B4: 7.17232  Sterimol/L: 20.0702 
 
 Surface and Volume Properties
  Accessible surface: 678.397  Positive charged surface: 444.159  Negative charged surface: 229.254  Volume: 397
  Hydrophobic surface: 596.401  Hydrophilic surface: 81.996
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.