(E)-N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide
Formula:C24H24N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide |
| MolecularFormula | C24H24N2O |
| Smiles | O=C(/C=C/c1ccccc1)N(Cc1cccn1Cc1ccccc1)C1CC1 |
| InChI | InChI=1S/C24H24N2O/c27-24(16-13-20-8-3-1-4-9-20)26(22-14-15-22)19-23-12-7-17-25(23)18-21-10-5-2-6-11-21/h1-13,16-17,22H,14-15,18-19H2 |
| InChIK | GDNVANRYVBWJOD-UHFFFAOYSA-N |
| TotalMolweight | 356.468 |
| Molweight | 356.468 |
| MonoisotopicMass | 356.188863 |
| CLogP | 3.9087 |
| CLogS | -3.217 |
| H Acceptors | 3 |
| TotalSurfaceArea | 290.57 |
| Relative PSA | 0.080738 |
| PolarSurfaceArea | 25.24 |
| Druglikeness | 2.6691 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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