(5Z)-3-cyclohexyl-2-(4-fluorophenyl)imino-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidin-4-one
Formula:C30H31N4O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-cyclohexyl-2-(4-fluorophenyl)imino-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidin-4-one is not a drug-like molecule.
| MolName | (5Z)-3-cyclohexyl-2-(4-fluorophenyl)imino-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidin-4-one |
| MolecularFormula | C30H31N4O3FS |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=C(/C(N2C3CCCCC3)=O)\S/C2=N\c(cc2)ccc2F)c1)N1CCOCC1 |
| InChI | InChI=1S/C30H31FN4O3S/c31-22-10-12-23(13-11-22)32-30-35(24-6-2-1-3-7-24)29(37)27(39-30)18-21-19-34(26-9-5-4-8-25(21)26)20-28(36)33-14-16-38-17-15-33/h4-5,8-13,18-19,24H,1-3,6-7,14-17,20H2 |
| InChIK | KQCJQMKVBSBTPR-UHFFFAOYSA-N |
| TotalMolweight | 546.665 |
| Molweight | 546.665 |
| MonoisotopicMass | 546.210089 |
| CLogP | 4.1804 |
| CLogS | -5.258 |
| H Acceptors | 7 |
| TotalSurfaceArea | 404.04 |
| Relative PSA | 0.19565 |
| PolarSurfaceArea | 92.44 |
| Druglikeness | -1.8504 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.48718 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 13 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-3-cyclohexyl-2-(4-fluorophenyl)imino-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidin-4-one | 2 - (5Z)-3-cyclohexyl-2-(4-fluorophenyl)imino-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1,3-thiazolidin-4-one
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