(2S)-3-phenyl-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
Formula:C17H16NO4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S)-3-phenyl-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate is a drug-like molecule.
| MolName | (2S)-3-phenyl-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate |
| MolecularFormula | C17H16NO4S |
| Smiles | [O-]C([C@H](Cc1ccccc1)NS(/C=C/c1ccccc1)(=O)=O)=O |
| InChI | InChI=1S/C17H17NO4S/c19-17(20)16(13-15-9-5-2-6-10-15)18-23(21,22)12-11-14-7-3-1-4-8-14/h1-12,16,18H,13H2,(H,19,20)/p-1/t16-/m0/s1 |
| InChIK | JMSZFEPCPCSQMH-INIZCTEOSA-M |
| TotalMolweight | 330.383 |
| Molweight | 330.383 |
| MonoisotopicMass | 330.080004 |
| CLogP | 0.1661 |
| CLogS | -3.887 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 251.1 |
| Relative PSA | 0.26826 |
| PolarSurfaceArea | 94.68 |
| Druglikeness | 2.7811 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (2S)-3-phenyl-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate | 2 - (2S)-3-phenyl-2-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off