1-(3-morpholin-4-ylpropyl)-3-[(Z)-quinolin-6-ylmethylideneamino]thiourea
Formula:C18H23N5OS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-(3-morpholin-4-ylpropyl)-3-[(Z)-quinolin-6-ylmethylideneamino]thiourea is a drug-like molecule.
| MolName | 1-(3-morpholin-4-ylpropyl)-3-[(Z)-quinolin-6-ylmethylideneamino]thiourea |
| MolecularFormula | C18H23N5OS |
| Smiles | S=C(NCCCN1CCOCC1)N/N=C\c1cc2cccnc2cc1 |
| InChI | InChI=1S/C18H23N5OS/c25-18(20-7-2-8-23-9-11-24-12-10-23)22-21-14-15-4-5-17-16(13-15)3-1-6-19-17/h1,3-6,13-14H,2,7-12H2,(H2,20,22,25) |
| InChIK | ZARPEPSTPONEOZ-UHFFFAOYSA-N |
| TotalMolweight | 357.481 |
| Molweight | 357.481 |
| MonoisotopicMass | 357.16233 |
| CLogP | 2.3227 |
| CLogS | -3.28 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 290.13 |
| Relative PSA | 0.29969 |
| PolarSurfaceArea | 93.87 |
| Druglikeness | 4.2688 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 10 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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