(8R)-6-[(Z)-naphthalen-1-ylmethylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Formula:C25H20N4O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(8R)-6-[(Z)-naphthalen-1-ylmethylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione is a drug-like molecule.
| MolName | (8R)-6-[(Z)-naphthalen-1-ylmethylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione |
| MolecularFormula | C25H20N4O2 |
| Smiles | O=C(CN1/N=C\c2cccc3ccccc23)N(Cc2c(C3)c(cccc4)c4[nH]2)[C@H]3C1=O |
| InChI | InChI=1S/C25H20N4O2/c30-24-15-29(26-13-17-8-5-7-16-6-1-2-9-18(16)17)25(31)23-12-20-19-10-3-4-11-21(19)27-22(20)14-28(23)24/h1-11,13,23,27H,12,14-15H2/t23-/m1/s1 |
| InChIK | KZPGQEWGQDVQRE-HSZRJFAPSA-N |
| TotalMolweight | 408.46 |
| Molweight | 408.46 |
| MonoisotopicMass | 408.158626 |
| CLogP | 3.0089 |
| CLogS | -5.202 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 299.43 |
| Relative PSA | 0.19597 |
| PolarSurfaceArea | 68.77 |
| Druglikeness | 7.5104 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (8R)-6-[(Z)-naphthalen-1-ylmethylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione | 2 - (8R)-6-[(Z)-naphthalen-1-ylmethylideneamino]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off