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


PUBCHEM-ZINC03581453

 MMsINC code: MMs03017057
Type: Neutral
Formula: C5H10FNO2
SMILES:   FCC(N)CCC(O)=O
InChI:   InChI=1/C5H10FNO2/c6-3-4(7)1-2-5(8)9/h4H,1-3,7H2,(H,8,9)/t4-/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)=8.03536 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 135.138 g/mol  logS: 0.31488  SlogP: 0.148  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.111913  Sterimol/B1: 2.57134  Sterimol/B2: 2.65413  Sterimol/B3: 3.01792
  Sterimol/B4: 3.9831  Sterimol/L: 10.92 
 
 Surface and Volume Properties
  Accessible surface: 307.581  Positive charged surface: 202.159  Negative charged surface: 105.421  Volume: 123.5
  Hydrophobic surface: 124.407  Hydrophilic surface: 183.174
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.