(E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enamide
Formula:C25H21N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(furan-2-ylmethyl)-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enamide |
| MolecularFormula | C25H21N3O3 |
| Smiles | N#C/C(/C(NCc1ccco1)=O)=C\c1cn(CCOc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C25H21N3O3/c26-16-19(25(29)27-17-22-9-6-13-30-22)15-20-18-28(24-11-5-4-10-23(20)24)12-14-31-21-7-2-1-3-8-21/h1-11,13,15,18H,12,14,17H2,(H,27,29) |
| InChIK | VUZSZFJXWQQXLX-UHFFFAOYSA-N |
| TotalMolweight | 411.46 |
| Molweight | 411.46 |
| MonoisotopicMass | 411.158292 |
| CLogP | 3.3333 |
| CLogS | -4.411 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 333.18 |
| Relative PSA | 0.20722 |
| PolarSurfaceArea | 80.19 |
| Druglikeness | 0.10523 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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