2-naphthalen-2-yl-5-[(E)-3-naphthalen-2-ylsulfonylprop-2-enyl]sulfanyl-1,3,4-oxadiazole
Formula:C25H18N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-naphthalen-2-yl-5-[(E)-3-naphthalen-2-ylsulfonylprop-2-enyl]sulfanyl-1,3,4-oxadiazole is not a drug-like molecule.
| MolName | 2-naphthalen-2-yl-5-[(E)-3-naphthalen-2-ylsulfonylprop-2-enyl]sulfanyl-1,3,4-oxadiazole |
| MolecularFormula | C25H18N2O3S2 |
| Smiles | O=S(/C=C/CSc1nnc(-c2cc3ccccc3cc2)o1)(c1cc2ccccc2cc1)=O |
| InChI | InChI=1S/C25H18N2O3S2/c28-32(29,23-13-12-19-7-2-4-9-21(19)17-23)15-5-14-31-25-27-26-24(30-25)22-11-10-18-6-1-3-8-20(18)16-22/h1-13,15-17H,14H2 |
| InChIK | BDAQVMYECOJBCA-UHFFFAOYSA-N |
| TotalMolweight | 458.561 |
| Molweight | 458.561 |
| MonoisotopicMass | 458.075883 |
| CLogP | 5.4341 |
| CLogS | -8.903 |
| H Acceptors | 5 |
| TotalSurfaceArea | 335.52 |
| Relative PSA | 0.24475 |
| PolarSurfaceArea | 106.74 |
| Druglikeness | -1.6875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-naphthalen-2-yl-5-[(E)-3-naphthalen-2-ylsulfonylprop-2-enyl]sulfanyl-1,3,4-oxadiazole | 2 - 2-naphthalen-2-yl-5-[(E)-3-naphthalen-2-ylsulfonylprop-2-enyl]sulfanyl-1,3,4-oxadiazole
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