(5Z)-5-benzylidene-3-(4-fluorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanylimidazol-4-one
Formula:C26H18N3O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-benzylidene-3-(4-fluorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanylimidazol-4-one is a drug-like molecule.
| MolName | (5Z)-5-benzylidene-3-(4-fluorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanylimidazol-4-one |
| MolecularFormula | C26H18N3O2FS |
| Smiles | O=C(CSC(N(C1=O)c(cc2)ccc2F)=N/C1=C\c1ccccc1)c1c[nH]c2c1cccc2 |
| InChI | InChI=1S/C26H18FN3O2S/c27-18-10-12-19(13-11-18)30-25(32)23(14-17-6-2-1-3-7-17)29-26(30)33-16-24(31)21-15-28-22-9-5-4-8-20(21)22/h1-15,28H,16H2 |
| InChIK | GFOXSCZEQWYDIK-UHFFFAOYSA-N |
| TotalMolweight | 455.512 |
| Molweight | 455.512 |
| MonoisotopicMass | 455.110375 |
| CLogP | 4.3645 |
| CLogS | -7.291 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 334.53 |
| Relative PSA | 0.21708 |
| PolarSurfaceArea | 90.83 |
| Druglikeness | 3.0475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-benzylidene-3-(4-fluorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanylimidazol-4-one | 2 - (5Z)-5-benzylidene-3-(4-fluorophenyl)-2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanylimidazol-4-one
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