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Chem Lubiprostone | Cheminformatics

Lubiprostone


  • SKU Code: CH136921
Chemical Name - Lubiprostone
Mol Weight - 390.465
Smiles - CCCCC([C@](CC1)(O)O[C@H](C2)[C@H]1[C@H](CCCCCCC(O)=O)C2=O)(F)F
Property Name Property Value
Mol NameLubiprostone
Molweight390.465
Monoisotopic Mass390.221781
Clogp4.5278
Clogs-4.651
H Acceptors5
H Donors2
Total Surface Area293.1
Relative Psa0.21249
Polar Surface Area83.83
Druglikeness-21.515
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.66667
Molecular Flexibility0.48101
Molecular Complexity0.85304
Fragments1
Non H Atoms27
Non Ch Atoms7
Electronegative Atoms7
Stereo Centers4
Rotatable Bonds11
Rings Closures2
Small Rings2
Sp3 Atoms21
Symmetric Atoms1
Acidic Oxygens1
SmilesCCCCC([C@](CC1)(O)O[C@H](C2)[C@H]1[C@H](CCCCCCC(O)=O)C2=O)(F)F
InChIKey
InChIC20H32O5F2

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