4,6-dimorpholin-4-yl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazin-2-amine
Formula:C25H29N7O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4,6-dimorpholin-4-yl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazin-2-amine is a drug-like molecule.
| MolName | 4,6-dimorpholin-4-yl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazin-2-amine |
| MolecularFormula | C25H29N7O3 |
| Smiles | C(c1ccccc1)Oc1cccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 |
| InChI | InChI=1S/C25H29N7O3/c1-2-5-20(6-3-1)19-35-22-8-4-7-21(17-22)18-26-30-23-27-24(31-9-13-33-14-10-31)29-25(28-23)32-11-15-34-16-12-32/h1-8,17-18H,9-16,19H2,(H,27,28,29,30) |
| InChIK | OEVWGUGKGAOLAU-UHFFFAOYSA-N |
| TotalMolweight | 475.551 |
| Molweight | 475.551 |
| MonoisotopicMass | 475.233188 |
| CLogP | 4.9486 |
| CLogS | -4.882 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 372.72 |
| Relative PSA | 0.24946 |
| PolarSurfaceArea | 97.23 |
| Druglikeness | 3.2985 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 12 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 4,6-dimorpholin-4-yl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazin-2-amine | 2 - 4,6-dimorpholin-4-yl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]-1,3,5-triazin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off