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


PUBCHEM-ZINC05850779

 MMsINC code: MMs03416623
Type: Neutral
Formula: C6H11FO5
SMILES:   FCC1(OCC(O)C(O)C1O)O
InChI:   InChI=1/C6H11FO5/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,8-11H,1-2H2/t3-,4-,5-,6-/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)=63.5851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.147 g/mol  logS: 0.54849  SlogP: -2.2426  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.321083  Sterimol/B1: 2.28492  Sterimol/B2: 3.20081  Sterimol/B3: 3.41902
  Sterimol/B4: 5.32327  Sterimol/L: 9.14991 
 
 Surface and Volume Properties
  Accessible surface: 329.368  Positive charged surface: 243.826  Negative charged surface: 85.5417  Volume: 144.125
  Hydrophobic surface: 139.165  Hydrophilic surface: 190.203
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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


MMs03416624
PUBCHEM-ZINC05850779