4-fluoro-N-[(Z)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-1-(4-phenylmethoxyphenyl)prop-1-en-2-yl]benzamide
Formula:C34H30N3O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-fluoro-N-[(Z)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-1-(4-phenylmethoxyphenyl)prop-1-en-2-yl]benzamide is not a drug-like molecule.
| MolName | 4-fluoro-N-[(Z)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-1-(4-phenylmethoxyphenyl)prop-1-en-2-yl]benzamide |
| MolecularFormula | C34H30N3O4F |
| Smiles | O=C(/C(/NC(c(cc1)ccc1F)=O)=C/c(cc1)ccc1OCc1ccccc1)N(CC(C1)CN23)CC1C3=CC=CC2=O |
| InChI | InChI=1S/C34H30FN3O4/c35-28-13-11-26(12-14-28)33(40)36-30(18-23-9-15-29(16-10-23)42-22-24-5-2-1-3-6-24)34(41)37-19-25-17-27(21-37)31-7-4-8-32(39)38(31)20-25/h1-16,18,25,27H,17,19-22H2,(H,36,40) |
| InChIK | GECIVCIUDVVKEZ-UHFFFAOYSA-N |
| TotalMolweight | 563.627 |
| Molweight | 563.627 |
| MonoisotopicMass | 563.222035 |
| CLogP | 5.2033 |
| CLogS | -5.794 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 423.66 |
| Relative PSA | 0.15975 |
| PolarSurfaceArea | 78.95 |
| Druglikeness | 3.3401 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47619 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 2 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 3 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 4-fluoro-N-[(Z)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-1-(4-phenylmethoxyphenyl)prop-1-en-2-yl]benzamide | 2 - 4-fluoro-N-[(Z)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-1-(4-phenylmethoxyphenyl)prop-1-en-2-yl]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off