2-[3-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]indol-1-yl]acetamide
Formula:C14H12N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[3-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[3-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]indol-1-yl]acetamide |
| MolecularFormula | C14H12N4O2S |
| Smiles | NC(Cn1c(cccc2)c2c(/C=C(\C(N2)=O)/NC2=S)c1)=O |
| InChI | InChI=1S/C14H12N4O2S/c15-12(19)7-18-6-8(9-3-1-2-4-11(9)18)5-10-13(20)17-14(21)16-10/h1-6H,7H2,(H2,15,19)(H2,16,17,20,21) |
| InChIK | MVPRRVIXSCTPEQ-UHFFFAOYSA-N |
| TotalMolweight | 300.341 |
| Molweight | 300.341 |
| MonoisotopicMass | 300.068096 |
| CLogP | -0.0171 |
| CLogS | -2.564 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 221.68 |
| Relative PSA | 0.44722 |
| PolarSurfaceArea | 121.24 |
| Druglikeness | 5.1433 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[3-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]indol-1-yl]acetamide | 2 - 2-[3-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]indol-1-yl]acetamide
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