(3-oxobenzo[f]chromen-1-yl)methyl (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Formula:C32H21NO4S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(3-oxobenzo[f]chromen-1-yl)methyl (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.
| MolName | (3-oxobenzo[f]chromen-1-yl)methyl (3E)-3-(thiophen-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate |
| MolecularFormula | C32H21NO4S |
| Smiles | O=C(c1c(CC/C2=C\c3cccs3)c2nc2ccccc12)OCC(c(c1ccccc1cc1)c1O1)=CC1=O |
| InChI | InChI=1S/C32H21NO4S/c34-28-17-21(29-23-8-2-1-6-19(23)12-14-27(29)37-28)18-36-32(35)30-24-9-3-4-10-26(24)33-31-20(11-13-25(30)31)16-22-7-5-15-38-22/h1-10,12,14-17H,11,13,18H2 |
| InChIK | GFAUOYZAYXRHMO-UHFFFAOYSA-N |
| TotalMolweight | 515.588 |
| Molweight | 515.588 |
| MonoisotopicMass | 515.119129 |
| CLogP | 6.3199 |
| CLogS | -7.702 |
| H Acceptors | 5 |
| TotalSurfaceArea | 375.88 |
| Relative PSA | 0.20594 |
| PolarSurfaceArea | 93.73 |
| Druglikeness | -1.3871 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44737 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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