(E)-3-(3-phenylmethoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one
Formula:C26H25NO4S
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
(E)-3-(3-phenylmethoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(3-phenylmethoxyphenyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-en-1-one |
| MolecularFormula | C26H25NO4S |
| Smiles | O=C(/C=C/c1cc(OCc2ccccc2)ccc1)c(cc1)ccc1S(N1CCCC1)(=O)=O |
| InChI | InChI=1S/C26H25NO4S/c28-26(23-12-14-25(15-13-23)32(29,30)27-17-4-5-18-27)16-11-21-9-6-10-24(19-21)31-20-22-7-2-1-3-8-22/h1-3,6-16,19H,4-5,17-18,20H2 |
| InChIK | PPCXZHZCFCJDOO-UHFFFAOYSA-N |
| TotalMolweight | 447.554 |
| Molweight | 447.554 |
| MonoisotopicMass | 447.150429 |
| CLogP | 4.5167 |
| CLogS | -5.006 |
| H Acceptors | 5 |
| TotalSurfaceArea | 341.21 |
| Relative PSA | 0.16169 |
| PolarSurfaceArea | 72.06 |
| Druglikeness | -1.43 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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