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PUBCHEM-ZINC03645081

 MMsINC code: MMs03032603
Type: Neutral
Formula: C8H14FNO5
SMILES:   FCC(O)C(O)C(O)C(NC(=O)C)C=O
InChI:   InChI=1/C8H14FNO5/c1-4(12)10-5(3-11)7(14)8(15)6(13)2-9/h3,5-8,13-15H,2H2,1H3,(H,10,12)/t5-,6+,7+,8-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.6467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 223.2 g/mol  logS: 0.48091  SlogP: -2.2578  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.145478  Sterimol/B1: 2.32806  Sterimol/B2: 3.32905  Sterimol/B3: 3.48306
  Sterimol/B4: 6.56607  Sterimol/L: 11.8543 
 
 Surface and Volume Properties
  Accessible surface: 405.184  Positive charged surface: 244.725  Negative charged surface: 160.459  Volume: 191.5
  Hydrophobic surface: 185.416  Hydrophilic surface: 219.768
 
 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
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Ions/Tautomers related molecules: no related molecules available.