(NE)-4-fluoro-N-[(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)-phenylmethylidene]benzenesulfonamide
Formula:C27H16N3O3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-4-fluoro-N-[(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)-phenylmethylidene]benzenesulfonamide is not a drug-like molecule.
| MolName | (NE)-4-fluoro-N-[(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)-phenylmethylidene]benzenesulfonamide |
| MolecularFormula | C27H16N3O3FS |
| Smiles | O=C1c(cccc2)c2-c2nn(/C(/c3ccccc3)=N/S(c(cc3)ccc3F)(=O)=O)c3c2c1ccc3 |
| InChI | InChI=1S/C27H16FN3O3S/c28-18-13-15-19(16-14-18)35(33,34)30-27(17-7-2-1-3-8-17)31-23-12-6-11-22-24(23)25(29-31)20-9-4-5-10-21(20)26(22)32/h1-16H |
| InChIK | ZALICJCUSSBACG-UHFFFAOYSA-N |
| TotalMolweight | 481.506 |
| Molweight | 481.506 |
| MonoisotopicMass | 481.08964 |
| CLogP | 5.7034 |
| CLogS | -8.574 |
| H Acceptors | 6 |
| TotalSurfaceArea | 337.25 |
| Relative PSA | 0.21044 |
| PolarSurfaceArea | 89.77 |
| Druglikeness | 0.18556 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (NE)-4-fluoro-N-[(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)-phenylmethylidene]benzenesulfonamide | 2 - (NE)-4-fluoro-N-[(8-oxo-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaen-14-yl)-phenylmethylidene]benzenesulfonamide
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