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


PUBCHEM-ZINC01554452

 MMsINC code: MMs02814322
Type: Neutral
Formula: C6H13FN2O2
SMILES:   FCC(N)CCC(N)C(O)=O
InChI:   InChI=1/C6H13FN2O2/c7-3-4(8)1-2-5(9)6(10)11/h4-5H,1-3,8-9H2,(H,10,11)/t4-,5+/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)=29.2765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 164.18 g/mol  logS: 0.30367  SlogP: -0.5247  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0959226  Sterimol/B1: 2.67785  Sterimol/B2: 3.25729  Sterimol/B3: 3.39574
  Sterimol/B4: 4.0334  Sterimol/L: 11.2844 
 
 Surface and Volume Properties
  Accessible surface: 354.812  Positive charged surface: 243.054  Negative charged surface: 111.758  Volume: 151
  Hydrophobic surface: 125.533  Hydrophilic surface: 229.279
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs02814323
PUBCHEM-ZINC01554452