4-[(5Z)-4-oxo-5-[2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Formula:C25H23N3O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(5Z)-4-oxo-5-[2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid is not a drug-like molecule.
| MolName | 4-[(5Z)-4-oxo-5-[2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid |
| MolecularFormula | C25H23N3O5S2 |
| Smiles | OC(CCCN(C(/C(/S1)=C(\c(cccc2)c2N2CC(NCCc3ccccc3)=O)/C2=O)=O)C1=S)=O |
| InChI | InChI=1S/C25H23N3O5S2/c29-19(26-13-12-16-7-2-1-3-8-16)15-28-18-10-5-4-9-17(18)21(23(28)32)22-24(33)27(25(34)35-22)14-6-11-20(30)31/h1-5,7-10H,6,11-15H2,(H,26,29)(H,30,31) |
| InChIK | RUYCYHIVXVJYDQ-UHFFFAOYSA-N |
| TotalMolweight | 509.606 |
| Molweight | 509.606 |
| MonoisotopicMass | 509.107912 |
| CLogP | 1.1252 |
| CLogS | -4.248 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 371.11 |
| Relative PSA | 0.34844 |
| PolarSurfaceArea | 164.41 |
| Druglikeness | 4.5759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(5Z)-4-oxo-5-[2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid | 2 - 4-[(5Z)-4-oxo-5-[2-oxo-1-[2-oxo-2-(2-phenylethylamino)ethyl]indol-3-ylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
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