2-anilino-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
Formula:C32H19N3O4
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-anilino-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone is not a drug-like molecule.
| MolName | 2-anilino-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone |
| MolecularFormula | C32H19N3O4 |
| Smiles | O=C(c(cc1)c(c2cc(Nc3ccccc3)c3C(N4c5ccccc5)=O)c3c1C4=O)N(c1ccccc1)C2=O |
| InChI | InChI=1S/C32H19N3O4/c36-29-22-16-17-23-27-26(22)24(31(38)34(29)20-12-6-2-7-13-20)18-25(33-19-10-4-1-5-11-19)28(27)32(39)35(30(23)37)21-14-8-3-9-15-21/h1-18,33H |
| InChIK | XJAVGUDUSJPHPZ-UHFFFAOYSA-N |
| TotalMolweight | 509.52 |
| Molweight | 509.52 |
| MonoisotopicMass | 509.137557 |
| CLogP | 6.0428 |
| CLogS | -8.508 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 363.2 |
| Relative PSA | 0.19471 |
| PolarSurfaceArea | 86.79 |
| Druglikeness | 1.6417 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.41026 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-anilino-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone | 2 - 2-anilino-6,13-diphenyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
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