[(Z)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]thiourea
Formula:C16H14N6O3S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[5-[4-(pyrimidin-2-ylsulfamoyl)phenyl]furan-2-yl]methylideneamino]thiourea |
| MolecularFormula | C16H14N6O3S2 |
| Smiles | NC(N/N=C\c1ccc(-c(cc2)ccc2S(Nc2ncccn2)(=O)=O)o1)=S |
| InChI | InChI=1S/C16H14N6O3S2/c17-15(26)21-20-10-12-4-7-14(25-12)11-2-5-13(6-3-11)27(23,24)22-16-18-8-1-9-19-16/h1-10H,(H3,17,21,26)(H,18,19,22) |
| InChIK | UYKWMBZZQYPKCP-UHFFFAOYSA-N |
| TotalMolweight | 402.458 |
| Molweight | 402.458 |
| MonoisotopicMass | 402.056879 |
| CLogP | 1.5763 |
| CLogS | -4.958 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 297.48 |
| Relative PSA | 0.47845 |
| PolarSurfaceArea | 175.97 |
| Druglikeness | 6.7439 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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