6-[(5Z)-4-oxo-5-[2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Formula:C27H27N3O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(5Z)-4-oxo-5-[2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid is not a drug-like molecule.
| MolName | 6-[(5Z)-4-oxo-5-[2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid |
| MolecularFormula | C27H27N3O5S2 |
| Smiles | OC(CCCCCN(C(/C(/S1)=C(\c(cccc2)c2N2CC(NCCc3ccccc3)=O)/C2=O)=O)C1=S)=O |
| InChI | InChI=1S/C27H27N3O5S2/c31-21(28-15-14-18-9-3-1-4-10-18)17-30-20-12-7-6-11-19(20)23(25(30)34)24-26(35)29(27(36)37-24)16-8-2-5-13-22(32)33/h1,3-4,6-7,9-12H,2,5,8,13-17H2,(H,28,31)(H,32,33) |
| InChIK | PGDXPMFFUKYBHF-UHFFFAOYSA-N |
| TotalMolweight | 537.659 |
| Molweight | 537.659 |
| MonoisotopicMass | 537.139212 |
| CLogP | 2.034 |
| CLogS | -4.788 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 398.63 |
| Relative PSA | 0.32439 |
| PolarSurfaceArea | 164.41 |
| Druglikeness | -4.0915 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59459 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Amides | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 6-[(5Z)-4-oxo-5-[2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid | 2 - 6-[(5Z)-4-oxo-5-[2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
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