(14E)-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one
Formula:C21H22N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(14E)-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one is a drug-like molecule.
| MolName | (14E)-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one |
| MolecularFormula | C21H22N2O2 |
| Smiles | OC/C=C(/CN(CC1)C(C2)C11c(cccc3)c3N3C11)\C2C1=CCC3=O |
| InChI | InChI=1S/C21H22N2O2/c24-10-7-13-12-22-9-8-21-16-3-1-2-4-17(16)23-19(25)6-5-14(20(21)23)15(13)11-18(21)22/h1-5,7,15,18,20,24H,6,8-12H2 |
| InChIK | PNYOGGAOQVIZDM-UHFFFAOYSA-N |
| TotalMolweight | 334.418 |
| Molweight | 334.418 |
| MonoisotopicMass | 334.168128 |
| CLogP | 1.8188 |
| CLogS | -3.208 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 230.35 |
| Relative PSA | 0.1443 |
| PolarSurfaceArea | 43.78 |
| Druglikeness | 4.5247 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 4 |
| Rotatable Bond | 1 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (14E)-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one | 2 - (14E)-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one
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