(E)-3-[4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]piperazin-1-yl]-1-(4-phenylphenyl)prop-2-en-1-one
Formula:C34H30N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]piperazin-1-yl]-1-(4-phenylphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-[4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]piperazin-1-yl]-1-(4-phenylphenyl)prop-2-en-1-one |
| MolecularFormula | C34H30N2O2 |
| Smiles | O=C(/C=C/N(CC1)CCN1/C=C/C(c(cc1)ccc1-c1ccccc1)=O)c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C34H30N2O2/c37-33(31-15-11-29(12-16-31)27-7-3-1-4-8-27)19-21-35-23-25-36(26-24-35)22-20-34(38)32-17-13-30(14-18-32)28-9-5-2-6-10-28/h1-22H,23-26H2 |
| InChIK | YBAGWWVGFQVEOG-UHFFFAOYSA-N |
| TotalMolweight | 498.624 |
| Molweight | 498.624 |
| MonoisotopicMass | 498.230728 |
| CLogP | 5.597 |
| CLogS | -7.768 |
| H Acceptors | 4 |
| TotalSurfaceArea | 403.18 |
| Relative PSA | 0.082296 |
| PolarSurfaceArea | 40.62 |
| Druglikeness | 5.2013 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 4 |
| Symmetricatoms | 24 |
| StereoCon |
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1 - (E)-3-[4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]piperazin-1-yl]-1-(4-phenylphenyl)prop-2-en-1-one | 2 - (E)-3-[4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]piperazin-1-yl]-1-(4-phenylphenyl)prop-2-en-1-one
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