3-[3-[(E)-(3-oxo-1H-inden-2-ylidene)methyl]indol-1-yl]propanamide
Formula:C21H18N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[3-[(E)-(3-oxo-1H-inden-2-ylidene)methyl]indol-1-yl]propanamide is a drug-like molecule.
| MolName | 3-[3-[(E)-(3-oxo-1H-inden-2-ylidene)methyl]indol-1-yl]propanamide |
| MolecularFormula | C21H18N2O2 |
| Smiles | NC(CCn1c(cccc2)c2c(/C=C(\Cc2c3cccc2)/C3=O)c1)=O |
| InChI | InChI=1S/C21H18N2O2/c22-20(24)9-10-23-13-16(17-6-3-4-8-19(17)23)12-15-11-14-5-1-2-7-18(14)21(15)25/h1-8,12-13H,9-11H2,(H2,22,24) |
| InChIK | QZSFIWYLSSIBAV-UHFFFAOYSA-N |
| TotalMolweight | 330.386 |
| Molweight | 330.386 |
| MonoisotopicMass | 330.136828 |
| CLogP | 2.8793 |
| CLogS | -4.027 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 253.33 |
| Relative PSA | 0.19034 |
| PolarSurfaceArea | 65.09 |
| Druglikeness | 3.7762 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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