(E)-2-cyano-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylprop-2-enamide
Formula:C24H26N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-3-phenylprop-2-enamide |
| MolecularFormula | C24H26N4O4S |
| Smiles | N#C/C(/C(Nc(cc(cc1)S(N2CCOCC2)(=O)=O)c1N1CCCC1)=O)=C\c1ccccc1 |
| InChI | InChI=1S/C24H26N4O4S/c25-18-20(16-19-6-2-1-3-7-19)24(29)26-22-17-21(8-9-23(22)27-10-4-5-11-27)33(30,31)28-12-14-32-15-13-28/h1-3,6-9,16-17H,4-5,10-15H2,(H,26,29) |
| InChIK | JPRJMXZXANFYBK-UHFFFAOYSA-N |
| TotalMolweight | 466.56 |
| Molweight | 466.56 |
| MonoisotopicMass | 466.167476 |
| CLogP | 2.5221 |
| CLogS | -3.698 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 350.91 |
| Relative PSA | 0.23864 |
| PolarSurfaceArea | 111.12 |
| Druglikeness | -0.81066 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 7 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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