(2Z,16Z)-25-hydroxy-22-oxa-5,10,14-triazapentacyclo[16.9.2.110,14.01,23.021,28]triaconta-2,16,18(29),19,21(28)-pentaene-4,15-dione
Formula:C26H33N3O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(2Z,16Z)-25-hydroxy-22-oxa-5,10,14-triazapentacyclo[16.9.2.110,14.01,23.021,28]triaconta-2,16,18(29),19,21(28)-pentaene-4,15-dione is a drug-like molecule.
| MolName | (2Z,16Z)-25-hydroxy-22-oxa-5,10,14-triazapentacyclo[16.9.2.110,14.01,23.021,28]triaconta-2,16,18(29),19,21(28)-pentaene-4,15-dione |
| MolecularFormula | C26H33N3O4 |
| Smiles | OC(CCC12/C=C\C(NCCCCN3CN4CCC3)=O)CC2Oc(cc2)c1cc2/C=C\C4=O |
| InChI | InChI=1S/C26H33N3O4/c30-20-8-10-26-11-9-24(31)27-12-1-2-13-28-14-3-15-29(18-28)25(32)7-5-19-4-6-22(21(26)16-19)33-23(26)17-20/h4-7,9,11,16,20,23,30H,1-3,8,10,12-15,17-18H2,(H,27,31) |
| InChIK | UFOFLILZAYNLQQ-UHFFFAOYSA-N |
| TotalMolweight | 451.565 |
| Molweight | 451.565 |
| MonoisotopicMass | 451.247107 |
| CLogP | 2.8655 |
| CLogS | -4.091 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 342.94 |
| Relative PSA | 0.19753 |
| PolarSurfaceArea | 82.11 |
| Druglikeness | 2.1953 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 3 |
| Rings Closures | 5 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 17 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (2Z,16Z)-25-hydroxy-22-oxa-5,10,14-triazapentacyclo[16.9.2.110,14.01,23.021,28]triaconta-2,16,18(29),19,21(28)-pentaene-4,15-dione | 2 - (2Z,16Z)-25-hydroxy-22-oxa-5,10,14-triazapentacyclo[16.9.2.110,14.01,23.021,28]triaconta-2,16,18(29),19,21(28)-pentaene-4,15-dione
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