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PUBCHEM-ZINC05767792

 MMsINC code: MMs03380403
Type: Neutral
Formula: C8H12FNO4
SMILES:   FC1C(OC2OC(=NC2C1O)C)CO
InChI:   InChI=1/C8H12FNO4/c1-3-10-6-7(12)5(9)4(2-11)14-8(6)13-3/h4-8,11-12H,2H2,1H3/t4-,5-,6-,7+,8+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.9809 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.185 g/mol  logS: -0.3405  SlogP: -0.3603  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138158  Sterimol/B1: 2.5697  Sterimol/B2: 3.07397  Sterimol/B3: 4.19888
  Sterimol/B4: 5.72833  Sterimol/L: 11.3317 
 
 Surface and Volume Properties
  Accessible surface: 380.402  Positive charged surface: 259.3  Negative charged surface: 121.102  Volume: 171.75
  Hydrophobic surface: 209.01  Hydrophilic surface: 171.392
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  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
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Ions/Tautomers related molecules: no related molecules available.