N-[(E)-3-[[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-2-hydroxypropyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
Formula:C31H28N4O7
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-[[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-2-hydroxypropyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.
| MolName | N-[(E)-3-[[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-2-hydroxypropyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C31H28N4O7 |
| Smiles | OC(CNC(/C(/NC(c1ccccc1)=O)=C\c1ccco1)=O)CNC(/C(/NC(c1ccccc1)=O)=C\c1ccco1)=O |
| InChI | InChI=1S/C31H28N4O7/c36-23(19-32-30(39)26(17-24-13-7-15-41-24)34-28(37)21-9-3-1-4-10-21)20-33-31(40)27(18-25-14-8-16-42-25)35-29(38)22-11-5-2-6-12-22/h1-18,23,36H,19-20H2,(H,32,39)(H,33,40)(H,34,37)(H,35,38) |
| InChIK | ILLKVCOASJNYCE-UHFFFAOYSA-N |
| TotalMolweight | 568.584 |
| Molweight | 568.584 |
| MonoisotopicMass | 568.195801 |
| CLogP | 3.0756 |
| CLogS | -5.583 |
| H Acceptors | 11 |
| H Donors | 5 |
| TotalSurfaceArea | 444.55 |
| Relative PSA | 0.3134 |
| PolarSurfaceArea | 162.91 |
| Druglikeness | 4.7048 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 12 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 22 |
| Amides | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-3-[[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-2-hydroxypropyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-[[3-[[(E)-2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-2-hydroxypropyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
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