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
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 Value | |
| Mol Name | Lubiprostone |
| Molweight | 390.465 |
| Monoisotopic Mass | 390.221781 |
| Clogp | 4.5278 |
| Clogs | -4.651 |
| H Acceptors | 5 |
| H Donors | 2 |
| Total Surface Area | 293.1 |
| Relative Psa | 0.21249 |
| Polar Surface Area | 83.83 |
| Druglikeness | -21.515 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.48101 |
| Molecular Complexity | 0.85304 |
| Fragments | 1 |
| Non H Atoms | 27 |
| Non Ch Atoms | 7 |
| Electronegative Atoms | 7 |
| Stereo Centers | 4 |
| Rotatable Bonds | 11 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Sp3 Atoms | 21 |
| Symmetric Atoms | 1 |
| Acidic Oxygens | 1 |
| Smiles | CCCCC([C@](CC1)(O)O[C@H](C2)[C@H]1[C@H](CCCCCCC(O)=O)C2=O)(F)F |
| InChIKey | |
| InChI | C20H32O5F2 |
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1 - Lubiprostone
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