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


NCID-ZINC01736873

 MMsINC code: MMs02358127
Type: Neutral
Formula: C6H11FO2
SMILES:   FC(C(CC)C)C(O)=O
InChI:   InChI=1/C6H11FO2/c1-3-4(2)5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t4-,5+/m1/s1

Download   format file 
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)=16.6673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 134.15 g/mol  logS: -1.15604  SlogP: 1.8751  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.183233  Sterimol/B1: 2.41796  Sterimol/B2: 3.05749  Sterimol/B3: 3.11913
  Sterimol/B4: 5.31789  Sterimol/L: 9.01768 
 
 Surface and Volume Properties
  Accessible surface: 311.241  Positive charged surface: 186.435  Negative charged surface: 124.806  Volume: 129
  Hydrophobic surface: 145.769  Hydrophilic surface: 165.472
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02358128
NCID-ZINC01736873