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PUBCHEM-ZINC06483897

 MMsINC code: MMs03760200
Type: Neutral
Formula: C15H17FN2O6
SMILES:   FC1CC(OC1CO)N1c2c(cc(OC)c(OC)c2)C(=O)NC1=O
InChI:   InChI=1/C15H17FN2O6/c1-22-10-3-7-9(5-11(10)23-2)18(15(21)17-14(7)20)13-4-8(16)12(6-19)24-13/h3,5,8,12-13,19H,4,6H2,1-2H3,(H,17,20,21)/t8-,12+,13+/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=71.6933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.307 g/mol  logS: -2.4278  SlogP: 1.2389  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0643027  Sterimol/B1: 3.63487  Sterimol/B2: 3.84172  Sterimol/B3: 5.02926
  Sterimol/B4: 6.45309  Sterimol/L: 15.673 
 
 Surface and Volume Properties
  Accessible surface: 540.932  Positive charged surface: 390.461  Negative charged surface: 150.471  Volume: 286.75
  Hydrophobic surface: 322.4  Hydrophilic surface: 218.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.