(E)-2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile
Formula:C23H23N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(morpholine-4-carbonyl)-3-[5-[4-(morpholine-4-carbonyl)phenyl]furan-2-yl]prop-2-enenitrile |
| MolecularFormula | C23H23N3O5 |
| Smiles | N#C/C(/C(N1CCOCC1)=O)=C\c1ccc(-c(cc2)ccc2C(N2CCOCC2)=O)o1 |
| InChI | InChI=1S/C23H23N3O5/c24-16-19(23(28)26-9-13-30-14-10-26)15-20-5-6-21(31-20)17-1-3-18(4-2-17)22(27)25-7-11-29-12-8-25/h1-6,15H,7-14H2 |
| InChIK | XHRWWVCZORMKHK-UHFFFAOYSA-N |
| TotalMolweight | 421.452 |
| Molweight | 421.452 |
| MonoisotopicMass | 421.163772 |
| CLogP | 2.1283 |
| CLogS | -3.138 |
| H Acceptors | 8 |
| TotalSurfaceArea | 328.31 |
| Relative PSA | 0.24626 |
| PolarSurfaceArea | 96.01 |
| Druglikeness | 0.2974 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
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