(E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enamide
Formula:C25H25N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enamide |
| MolecularFormula | C25H25N3O3 |
| Smiles | N#C/C(/C(NCC1OCCC1)=O)=C\c1cn(CCOc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C25H25N3O3/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/h1-5,7-8,10-11,15,18,22H,6,9,12-14,17H2,(H,27,29)/t22-/m1/s1 |
| InChIK | HMQRGRWVJZLPMQ-JOCHJYFZSA-N |
| TotalMolweight | 415.492 |
| Molweight | 415.492 |
| MonoisotopicMass | 415.189592 |
| CLogP | 3.0263 |
| CLogS | -4.091 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 334.01 |
| Relative PSA | 0.1944 |
| PolarSurfaceArea | 76.28 |
| Druglikeness | -0.92283 |
| 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 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - (E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enamide | 2 - (E)-2-cyano-N-(oxolan-2-ylmethyl)-3-[1-(2-phenoxyethyl)indol-3-yl]prop-2-enamide
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