N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
Formula:C20H18N2O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is a drug-like molecule.
| MolName | N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide |
| MolecularFormula | C20H18N2O3S |
| Smiles | O=C(CN(c1cccc2cccc3c12)C3=O)NCCSCc1ccco1 |
| InChI | InChI=1S/C20H18N2O3S/c23-18(21-9-11-26-13-15-6-3-10-25-15)12-22-17-8-2-5-14-4-1-7-16(19(14)17)20(22)24/h1-8,10H,9,11-13H2,(H,21,23) |
| InChIK | OFJLBIIVFHOFHO-UHFFFAOYSA-N |
| TotalMolweight | 366.44 |
| Molweight | 366.44 |
| MonoisotopicMass | 366.103813 |
| CLogP | 2.6448 |
| CLogS | -5.329 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 273.6 |
| Relative PSA | 0.26568 |
| PolarSurfaceArea | 87.85 |
| Druglikeness | 4.1009 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide | 2 - N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off