(6,7-dihydroxy-2-oxochromen-4-yl)methyl 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
Formula:C24H18O9
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(6,7-dihydroxy-2-oxochromen-4-yl)methyl 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate is a drug-like molecule.
| MolName | (6,7-dihydroxy-2-oxochromen-4-yl)methyl 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate |
| MolecularFormula | C24H18O9 |
| Smiles | Oc(c(O)c1)cc(C(COC(COc(cc2)cc(O3)c2C(CCC2)=C2C3=O)=O)=C2)c1OC2=O |
| InChI | InChI=1S/C24H18O9/c25-18-8-17-12(6-22(27)32-21(17)9-19(18)26)10-31-23(28)11-30-13-4-5-15-14-2-1-3-16(14)24(29)33-20(15)7-13/h4-9,25-26H,1-3,10-11H2 |
| InChIK | DTBHGGBXSXUYRD-UHFFFAOYSA-N |
| TotalMolweight | 450.398 |
| Molweight | 450.398 |
| MonoisotopicMass | 450.095085 |
| CLogP | 1.8658 |
| CLogS | -3.323 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 314.9 |
| Relative PSA | 0.33446 |
| PolarSurfaceArea | 128.59 |
| Druglikeness | -4.3305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| StereoCon |
Click to Load Molecule:
1 - (6,7-dihydroxy-2-oxochromen-4-yl)methyl 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate | 2 - (6,7-dihydroxy-2-oxochromen-4-yl)methyl 2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]acetate
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