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


MAYBRIDGE-ZINC04375842

 MMsINC code: MMs02172500
Type: Neutral
Formula: C14H17FO5
SMILES:   FC1C2OC(OCC2OC(OC)C1O)c1ccccc1
InChI:   InChI=1/C14H17FO5/c1-17-14-11(16)10(15)12-9(19-14)7-18-13(20-12)8-5-3-2-4-6-8/h2-6,9-14,16H,7H2,1H3/t9-,10+,11-,12-,13+,14-/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)=80.8579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.283 g/mol  logS: -2.10929  SlogP: 1.6863  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.19866  Sterimol/B1: 2.65847  Sterimol/B2: 2.96737  Sterimol/B3: 5.37318
  Sterimol/B4: 5.77334  Sterimol/L: 12.6023 
 
 Surface and Volume Properties
  Accessible surface: 475.038  Positive charged surface: 328.184  Negative charged surface: 146.855  Volume: 249.875
  Hydrophobic surface: 363.587  Hydrophilic surface: 111.451
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 6
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02172501
MAYBRIDGE-ZINC04375842