(16E)-16-hydroxyimino-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-10-one
Formula:C15H17N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(16E)-16-hydroxyimino-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-10-one is a drug-like molecule.
| MolName | (16E)-16-hydroxyimino-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-10-one |
| MolecularFormula | C15H17N3O2S |
| Smiles | O/N=C(\CCC1)/c2c1c(C(N(CCCCC1)C1=N1)=O)c1s2 |
| InChI | InChI=1S/C15H17N3O2S/c19-15-12-9-5-4-6-10(17-20)13(9)21-14(12)16-11-7-2-1-3-8-18(11)15/h20H,1-8H2 |
| InChIK | OQJQNAOOXIYDPZ-UHFFFAOYSA-N |
| TotalMolweight | 303.385 |
| Molweight | 303.385 |
| MonoisotopicMass | 303.104147 |
| CLogP | 3.2145 |
| CLogS | -4.407 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 219.12 |
| Relative PSA | 0.33347 |
| PolarSurfaceArea | 93.5 |
| Druglikeness | 0.53252 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 9 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (16E)-16-hydroxyimino-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-10-one | 2 - (16E)-16-hydroxyimino-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-trien-10-one
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