Chemical Name - Lurasidone
Mol Weight - 492.686
Smiles - O=C([C@H]1[C@@H]2[C@H]3C[C@@H]1CC3)N(C[C@H]1[C@H](CN(CC3)CCN3c3nsc4c3cccc4)CCCC1)C2=O
Mol Weight - 492.686
Smiles - O=C([C@H]1[C@@H]2[C@H]3C[C@@H]1CC3)N(C[C@H]1[C@H](CN(CC3)CCN3c3nsc4c3cccc4)CCCC1)C2=O
| Property Value | |
| Mol Name | Lurasidone |
| Molweight | 492.686 |
| Monoisotopic Mass | 492.255896 |
| Clogp | 3.9243 |
| Clogs | -3.966 |
| H Acceptors | 6 |
| Total Surface Area | 355.34 |
| Relative Psa | 0.19153 |
| Polar Surface Area | 84.99 |
| Druglikeness | 2.6271 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.51429 |
| Molecular Flexibility | 0.44285 |
| Molecular Complexity | 0.909 |
| Fragments | 1 |
| Non H Atoms | 35 |
| Non Ch Atoms | 7 |
| Electronegative Atoms | 7 |
| Stereo Centers | 6 |
| Rotatable Bonds | 5 |
| Rings Closures | 7 |
| Small Rings | 8 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3 Atoms | 20 |
| Symmetric Atoms | 2 |
| Amides | 1 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Aromatic Nitrogens | 1 |
| Basic Nitrogens | 2 |
| Smiles | O=C([C@H]1[C@@H]2[C@H]3C[C@@H]1CC3)N(C[C@H]1[C@H](CN(CC3)CCN3c3nsc4c3cccc4)CCCC1)C2=O |
| InChIKey | |
| InChI | C28H36N4O2S |
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1 - Lurasidone
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