(2-oxo-2-pyrrolidin-1-ylethyl) (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Formula:C24H22N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2-oxo-2-pyrrolidin-1-ylethyl) (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.
| MolName | (2-oxo-2-pyrrolidin-1-ylethyl) (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate |
| MolecularFormula | C24H22N2O3S |
| Smiles | O=C(COC(c1c(CC/C2=C\c3cccs3)c2nc2ccccc12)=O)N1CCCC1 |
| InChI | InChI=1S/C24H22N2O3S/c27-21(26-11-3-4-12-26)15-29-24(28)22-18-7-1-2-8-20(18)25-23-16(9-10-19(22)23)14-17-6-5-13-30-17/h1-2,5-8,13-14H,3-4,9-12,15H2 |
| InChIK | PBNNZWOUGNVRFO-UHFFFAOYSA-N |
| TotalMolweight | 418.516 |
| Molweight | 418.516 |
| MonoisotopicMass | 418.135113 |
| CLogP | 4.262 |
| CLogS | -4.772 |
| H Acceptors | 5 |
| TotalSurfaceArea | 312.15 |
| Relative PSA | 0.22733 |
| PolarSurfaceArea | 87.74 |
| Druglikeness | 6.3216 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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