(E)-3-(1H-imidazol-5-yl)-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]prop-2-en-1-one
Formula:C16H17N7O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(1H-imidazol-5-yl)-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(1H-imidazol-5-yl)-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]prop-2-en-1-one |
| MolecularFormula | C16H17N7O3 |
| Smiles | O=C(/C=C/c1cnc[nH]1)N1CC(COn2nnc3cccnc23)OCC1 |
| InChI | InChI=1S/C16H17N7O3/c24-15(4-3-12-8-17-11-19-12)22-6-7-25-13(9-22)10-26-23-16-14(20-21-23)2-1-5-18-16/h1-5,8,11,13H,6-7,9-10H2,(H,17,19)/t13-/m1/s1 |
| InChIK | HDHHPFSBDFXNBZ-CYBMUJFWSA-N |
| TotalMolweight | 355.357 |
| Molweight | 355.357 |
| MonoisotopicMass | 355.139288 |
| CLogP | 0.3023 |
| CLogS | -2.933 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 270.02 |
| Relative PSA | 0.37527 |
| PolarSurfaceArea | 111.05 |
| Druglikeness | 0.008139 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 6 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-3-(1H-imidazol-5-yl)-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]prop-2-en-1-one | 2 - (E)-3-(1H-imidazol-5-yl)-1-[2-(triazolo[4,5-b]pyridin-3-yloxymethyl)morpholin-4-yl]prop-2-en-1-one
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