(5Z)-5-[(2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
Formula:C18H18N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-[(2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one |
| MolecularFormula | C18H18N4OS |
| Smiles | O=C(/C(/N1)=C/c2cc3ccccc3nc2N2CCCCC2)NC1=S |
| InChI | InChI=1S/C18H18N4OS/c23-17-15(20-18(24)21-17)11-13-10-12-6-2-3-7-14(12)19-16(13)22-8-4-1-5-9-22/h2-3,6-7,10-11H,1,4-5,8-9H2,(H2,20,21,23,24) |
| InChIK | SRCXTVRNQQWNBY-UHFFFAOYSA-N |
| TotalMolweight | 338.434 |
| Molweight | 338.434 |
| MonoisotopicMass | 338.120131 |
| CLogP | 2.7292 |
| CLogS | -5.043 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 256.81 |
| Relative PSA | 0.3056 |
| PolarSurfaceArea | 89.35 |
| Druglikeness | 2.4417 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-[(2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one | 2 - (5Z)-5-[(2-piperidin-1-ylquinolin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off