3-[3-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]indol-1-yl]propanamide
Formula:C26H24N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[3-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]indol-1-yl]propanamide is a drug-like molecule.
| MolName | 3-[3-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]indol-1-yl]propanamide |
| MolecularFormula | C26H24N4O3 |
| Smiles | NC(CCn1c(cccc2)c2c(/C=N\NC(C(c2ccccc2)(c2ccccc2)O)=O)c1)=O |
| InChI | InChI=1S/C26H24N4O3/c27-24(31)15-16-30-18-19(22-13-7-8-14-23(22)30)17-28-29-25(32)26(33,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,17-18,33H,15-16H2,(H2,27,31)(H,29,32) |
| InChIK | SMQXJFHKMSMKSO-UHFFFAOYSA-N |
| TotalMolweight | 440.502 |
| Molweight | 440.502 |
| MonoisotopicMass | 440.184841 |
| CLogP | 2.6904 |
| CLogS | -4.441 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 341.1 |
| Relative PSA | 0.24711 |
| PolarSurfaceArea | 109.71 |
| Druglikeness | 7.29 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-[3-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]indol-1-yl]propanamide | 2 - 3-[3-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]indol-1-yl]propanamide
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