(5Z)-5-(anthracen-9-ylmethylidene)-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one
Formula:C30H26N2OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-(anthracen-9-ylmethylidene)-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-5-(anthracen-9-ylmethylidene)-3-cyclohexyl-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C30H26N2OS |
| Smiles | O=C(/C(/S1)=C/c2c(cccc3)c3cc3ccccc23)N(C2CCCCC2)/C1=N/c1ccccc1 |
| InChI | InChI=1S/C30H26N2OS/c33-29-28(20-27-25-17-9-7-11-21(25)19-22-12-8-10-18-26(22)27)34-30(31-23-13-3-1-4-14-23)32(29)24-15-5-2-6-16-24/h1,3-4,7-14,17-20,24H,2,5-6,15-16H2 |
| InChIK | SXFHYLUZEGQFKM-UHFFFAOYSA-N |
| TotalMolweight | 462.615 |
| Molweight | 462.615 |
| MonoisotopicMass | 462.176583 |
| CLogP | 7.1273 |
| CLogS | -8.791 |
| H Acceptors | 3 |
| TotalSurfaceArea | 349.74 |
| Relative PSA | 0.13035 |
| PolarSurfaceArea | 57.97 |
| Druglikeness | -1.5927 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.41176 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 7 |
| Symmetricatoms | 10 |
| Amides | 1 |
| StereoCon |
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