(5Z)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Formula:C14H15N3OS
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
(5Z)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C14H15N3OS |
| Smiles | O=C(/C(/N1)=C/c(cc2)ccc2N2CCCC2)NC1=S |
| InChI | InChI=1S/C14H15N3OS/c18-13-12(15-14(19)16-13)9-10-3-5-11(6-4-10)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H2,15,16,18,19) |
| InChIK | ZGHROILZYXMCEV-UHFFFAOYSA-N |
| TotalMolweight | 273.359 |
| Molweight | 273.359 |
| MonoisotopicMass | 273.093582 |
| CLogP | 1.7198 |
| CLogS | -3.542 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 209.69 |
| Relative PSA | 0.32195 |
| PolarSurfaceArea | 76.46 |
| Druglikeness | 3.9383 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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