(2S,6R,8R,12S)-4,10-dipyridin-4-yl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
Formula:C22H16N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2S,6R,8R,12S)-4,10-dipyridin-4-yl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone is a drug-like molecule.
| MolName | (2S,6R,8R,12S)-4,10-dipyridin-4-yl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone |
| MolecularFormula | C22H16N4O4 |
| Smiles | O=C([C@H]([C@@H]1C2=O)C([C@@H]3C(N4c5ccncc5)=O)C=CC1[C@H]3C4=O)N2c1ccncc1 |
| InChI | InChI=1S/C22H16N4O4/c27-19-15-13-1-2-14(17(15)21(29)25(19)11-3-7-23-8-4-11)18-16(13)20(28)26(22(18)30)12-5-9-24-10-6-12/h1-10,13-18H/t13?,14?,15-,16-,17-,18-/m1/s1 |
| InChIK | HLMBUKUTOFQWAX-TYPSOMRTSA-N |
| TotalMolweight | 400.393 |
| Molweight | 400.393 |
| MonoisotopicMass | 400.117156 |
| CLogP | -0.1886 |
| CLogS | -2.934 |
| H Acceptors | 8 |
| TotalSurfaceArea | 269.64 |
| Relative PSA | 0.30114 |
| PolarSurfaceArea | 100.54 |
| Druglikeness | 2.7513 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 6 |
| Small Rings | 7 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 15 |
| Amides | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2S,6R,8R,12S)-4,10-dipyridin-4-yl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone | 2 - (2S,6R,8R,12S)-4,10-dipyridin-4-yl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
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