N-[(E)-3-[6-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]hexylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
Formula:C38H38N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-[6-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]hexylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is not a drug-like molecule.
| MolName | N-[(E)-3-[6-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]hexylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide |
| MolecularFormula | C38H38N4O4 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1ccccc1)NCCCCCCNC(/C(/NC(c1ccccc1)=O)=C\c1ccccc1)=O |
| InChI | InChI=1S/C38H38N4O4/c43-35(31-21-11-5-12-22-31)41-33(27-29-17-7-3-8-18-29)37(45)39-25-15-1-2-16-26-40-38(46)34(28-30-19-9-4-10-20-30)42-36(44)32-23-13-6-14-24-32/h3-14,17-24,27-28H,1-2,15-16,25-26H2,(H,39,45)(H,40,46)(H,41,43)(H,42,44) |
| InChIK | ZBEUUNSYABTFRU-UHFFFAOYSA-N |
| TotalMolweight | 614.744 |
| Molweight | 614.744 |
| MonoisotopicMass | 614.289306 |
| CLogP | 7.0832 |
| CLogS | -7.428 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 501.36 |
| Relative PSA | 0.19547 |
| PolarSurfaceArea | 116.4 |
| Druglikeness | -2.9902 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 46 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 15 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 27 |
| Amides | 4 |
| StereoCon |
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1 - N-[(E)-3-[6-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]hexylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-[6-[[(E)-2-benzamido-3-phenylprop-2-enoyl]amino]hexylamino]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
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