3-[(Z)-hydroxyiminomethyl]-2-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one
Formula:C15H11N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-hydroxyiminomethyl]-2-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-hydroxyiminomethyl]-2-phenylsulfanylpyrido[1,2-a]pyrimidin-4-one |
| MolecularFormula | C15H11N3O2S |
| Smiles | O/N=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Sc1ccccc1 |
| InChI | InChI=1S/C15H11N3O2S/c19-15-12(10-16-20)14(21-11-6-2-1-3-7-11)17-13-8-4-5-9-18(13)15/h1-10,20H |
| InChIK | KLHHRUHYHCDARW-UHFFFAOYSA-N |
| TotalMolweight | 297.337 |
| Molweight | 297.337 |
| MonoisotopicMass | 297.057197 |
| CLogP | 1.6773 |
| CLogS | -3.694 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 221.8 |
| Relative PSA | 0.3165 |
| PolarSurfaceArea | 90.56 |
| Druglikeness | 3.8518 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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