1-[(E)-hydroxyiminomethyl]-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Formula:C25H18N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
1-[(E)-hydroxyiminomethyl]-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is a drug-like molecule.
| MolName | 1-[(E)-hydroxyiminomethyl]-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione |
| MolecularFormula | C25H18N2O3 |
| Smiles | O/N=C/C(C(C(C12)C(N3c4ccccc4)=O)C3=O)(c3c2cccc3)c2c1cccc2 |
| InChI | InChI=1S/C25H18N2O3/c28-23-21-20-16-10-4-6-12-18(16)25(14-26-30,19-13-7-5-11-17(19)20)22(21)24(29)27(23)15-8-2-1-3-9-15/h1-14,20-22,30H |
| InChIK | INDQAPBGHBPJAY-UHFFFAOYSA-N |
| TotalMolweight | 394.429 |
| Molweight | 394.429 |
| MonoisotopicMass | 394.131743 |
| CLogP | 3.1451 |
| CLogS | -4.722 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 277.1 |
| Relative PSA | 0.19574 |
| PolarSurfaceArea | 69.97 |
| Druglikeness | 3.0416 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.36667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 6 |
| Small Rings | 7 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 1-[(E)-hydroxyiminomethyl]-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione | 2 - 1-[(E)-hydroxyiminomethyl]-17-phenyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
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