2-[2-[(Z)-[4-oxo-2-sulfanylidene-3-(thiophene-2-carbonylamino)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
Formula:C17H12N2O5S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[2-[(Z)-[4-oxo-2-sulfanylidene-3-(thiophene-2-carbonylamino)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[4-oxo-2-sulfanylidene-3-(thiophene-2-carbonylamino)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C17H12N2O5S3 |
| Smiles | OC(COc1c(/C=C(/C(N2NC(c3cccs3)=O)=O)\SC2=S)cccc1)=O |
| InChI | InChI=1S/C17H12N2O5S3/c20-14(21)9-24-11-5-2-1-4-10(11)8-13-16(23)19(17(25)27-13)18-15(22)12-6-3-7-26-12/h1-8H,9H2,(H,18,22)(H,20,21) |
| InChIK | HKZMVRSJAMGTDY-UHFFFAOYSA-N |
| TotalMolweight | 420.489 |
| Molweight | 420.489 |
| MonoisotopicMass | 419.990833 |
| CLogP | 0.3978 |
| CLogS | -4.487 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 295.49 |
| Relative PSA | 0.48421 |
| PolarSurfaceArea | 181.57 |
| Druglikeness | 4.6038 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[4-oxo-2-sulfanylidene-3-(thiophene-2-carbonylamino)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[4-oxo-2-sulfanylidene-3-(thiophene-2-carbonylamino)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
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