propyl 4-(16-oxo-6,17-dioxa-4-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8,11(15)-tetraen-4-yl)benzoate
Formula:C24H23NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
propyl 4-(16-oxo-6,17-dioxa-4-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8,11(15)-tetraen-4-yl)benzoate is a drug-like molecule.
| MolName | propyl 4-(16-oxo-6,17-dioxa-4-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8,11(15)-tetraen-4-yl)benzoate |
| MolecularFormula | C24H23NO5 |
| Smiles | CCCOC(c(cc1)ccc1N(C1)COc(cc2)c1c(O1)c2C(CCC2)=C2C1=O)=O |
| InChI | InChI=1S/C24H23NO5/c1-2-12-28-23(26)15-6-8-16(9-7-15)25-13-20-21(29-14-25)11-10-18-17-4-3-5-19(17)24(27)30-22(18)20/h6-11H,2-5,12-14H2,1H3 |
| InChIK | LFIADOFDQCCLMS-UHFFFAOYSA-N |
| TotalMolweight | 405.449 |
| Molweight | 405.449 |
| MonoisotopicMass | 405.157624 |
| CLogP | 3.9378 |
| CLogS | -5.342 |
| H Acceptors | 6 |
| TotalSurfaceArea | 299.82 |
| Relative PSA | 0.19889 |
| PolarSurfaceArea | 65.07 |
| Druglikeness | -0.75268 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - propyl 4-(16-oxo-6,17-dioxa-4-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8,11(15)-tetraen-4-yl)benzoate | 2 - propyl 4-(16-oxo-6,17-dioxa-4-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8,11(15)-tetraen-4-yl)benzoate
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