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


PUBCHEM-ZINC04544573

 MMsINC code: MMs03131720
Type: Ionized
Formula: C6H10FO5-
SMILES:   FC1OC(CO)C(O)C(O)C1[O-]
InChI:   InChI=1/C6H10FO5/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-10H,1H2/q-1/t2-,3-,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)=43.0004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 181.139 g/mol  logS: 0.6522  SlogP: -1.3861  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.219751  Sterimol/B1: 3.02185  Sterimol/B2: 3.07965  Sterimol/B3: 3.93133
  Sterimol/B4: 4.36544  Sterimol/L: 10.1118 
 
 Surface and Volume Properties
  Accessible surface: 318.951  Positive charged surface: 193.936  Negative charged surface: 125.016  Volume: 141.125
  Hydrophobic surface: 137.821  Hydrophilic surface: 181.13
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 1  Basic groups: 0
  Chiral centers: 5
 
 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:  
   
Parent related molecule:


MMs03131719
PUBCHEM-ZINC04544573