3-cyclopentyl-1-[8-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one
Formula:C24H32N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-cyclopentyl-1-[8-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one is not a drug-like molecule.
| MolName | 3-cyclopentyl-1-[8-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one |
| MolecularFormula | C24H32N2O2S |
| Smiles | O=C(CCC1CCCC1)N1C(CC2)(CCN2C(/C=C/c2ccccc2)=O)SCC1 |
| InChI | InChI=1S/C24H32N2O2S/c27-22(12-10-20-6-2-1-3-7-20)25-16-14-24(15-17-25)26(18-19-29-24)23(28)13-11-21-8-4-5-9-21/h1-3,6-7,10,12,21H,4-5,8-9,11,13-19H2 |
| InChIK | BRENRLHQGAPLFD-UHFFFAOYSA-N |
| TotalMolweight | 412.596 |
| Molweight | 412.596 |
| MonoisotopicMass | 412.218448 |
| CLogP | 5.0908 |
| CLogS | -4.999 |
| H Acceptors | 4 |
| TotalSurfaceArea | 320.88 |
| Relative PSA | 0.15791 |
| PolarSurfaceArea | 65.92 |
| Druglikeness | 1.2549 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 15 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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1 - 3-cyclopentyl-1-[8-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one | 2 - 3-cyclopentyl-1-[8-[(E)-3-phenylprop-2-enoyl]-1-thia-4,8-diazaspiro[4.5]decan-4-yl]propan-1-one
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