(2E)-2-cyano-2-(14,21-diazapentacyclo[12.7.0.01,6.08,13.015,20]henicosa-8(13),15,18,20-tetraen-17-ylidene)acetamide
Formula:C22H24N4O
Mutagenic:low
Tumorigenic:low
Reproductive Effective:low
(2E)-2-cyano-2-(14,21-diazapentacyclo[12.7.0.01,6.08,13.015,20]henicosa-8(13),15,18,20-tetraen-17-ylidene)acetamide is a drug-like molecule.
| MolName | (2E)-2-cyano-2-(14,21-diazapentacyclo[12.7.0.01,6.08,13.015,20]henicosa-8(13),15,18,20-tetraen-17-ylidene)acetamide |
| MolecularFormula | C22H24N4O |
| Smiles | NC(/C(/C#N)=C1/C=C2N3C(CCCC4)=C4CC(CCCC4)C34N=C2C=C1)=O |
| InChI | InChI=1S/C22H24N4O/c23-13-17(21(24)27)14-8-9-18-20(12-14)26-19-7-2-1-5-15(19)11-16-6-3-4-10-22(16,26)25-18/h8-9,12,16H,1-7,10-11H2,(H2,24,27) |
| InChIK | OHWJDSSZXTZAES-UHFFFAOYSA-N |
| TotalMolweight | 360.46 |
| Molweight | 360.46 |
| MonoisotopicMass | 360.195011 |
| CLogP | 2.5787 |
| CLogS | -4.338 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 271.05 |
| Relative PSA | 0.21004 |
| PolarSurfaceArea | 82.48 |
| Druglikeness | -6.099 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.40741 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Sp3Atoms | 11 |
| Amides | 1 |
| BasicNitrogens | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (2E)-2-cyano-2-(14,21-diazapentacyclo[12.7.0.01,6.08,13.015,20]henicosa-8(13),15,18,20-tetraen-17-ylidene)acetamide | 2 - (2E)-2-cyano-2-(14,21-diazapentacyclo[12.7.0.01,6.08,13.015,20]henicosa-8(13),15,18,20-tetraen-17-ylidene)acetamide
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