(E)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-3-thiophen-2-ylprop-2-enamide
Formula:C20H14N2OS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-3-thiophen-2-ylprop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C20H14N2OS2 |
| Smiles | O=C(/C=C/c1cccs1)Nc1nc(c2cccc(CC3)c2c3c2)c2s1 |
| InChI | InChI=1S/C20H14N2OS2/c23-17(9-8-14-4-2-10-24-14)21-20-22-19-15-5-1-3-12-6-7-13(18(12)15)11-16(19)25-20/h1-5,8-11H,6-7H2,(H,21,22,23) |
| InChIK | FZLDVBMKCJKJES-UHFFFAOYSA-N |
| TotalMolweight | 362.476 |
| Molweight | 362.476 |
| MonoisotopicMass | 362.054753 |
| CLogP | 5.4725 |
| CLogS | -6.633 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 262.59 |
| Relative PSA | 0.29015 |
| PolarSurfaceArea | 98.47 |
| Druglikeness | 0.68943 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)-3-thiophen-2-ylprop-2-enamide
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