[(12Z)-6-amino-8-(furan-2-yl)-12-(furan-2-ylmethylidene)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl]-phenylmethanone
Formula:C26H18N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(12Z)-6-amino-8-(furan-2-yl)-12-(furan-2-ylmethylidene)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl]-phenylmethanone is a drug-like molecule.
| MolName | [(12Z)-6-amino-8-(furan-2-yl)-12-(furan-2-ylmethylidene)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl]-phenylmethanone |
| MolecularFormula | C26H18N2O3S |
| Smiles | Nc1c(C(c2ccccc2)=O)sc2nc(/C(/CC3)=C\c4ccco4)c3c(-c3ccco3)c12 |
| InChI | InChI=1S/C26H18N2O3S/c27-22-21-20(19-9-5-13-31-19)18-11-10-16(14-17-8-4-12-30-17)23(18)28-26(21)32-25(22)24(29)15-6-2-1-3-7-15/h1-9,12-14H,10-11,27H2 |
| InChIK | WFUFXXFHWFGPEC-UHFFFAOYSA-N |
| TotalMolweight | 438.506 |
| Molweight | 438.506 |
| MonoisotopicMass | 438.103813 |
| CLogP | 4.6682 |
| CLogS | -8.399 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 326.22 |
| Relative PSA | 0.26933 |
| PolarSurfaceArea | 110.5 |
| Druglikeness | 0.49177 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(12Z)-6-amino-8-(furan-2-yl)-12-(furan-2-ylmethylidene)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl]-phenylmethanone | 2 - [(12Z)-6-amino-8-(furan-2-yl)-12-(furan-2-ylmethylidene)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl]-phenylmethanone
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