(E)-1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
Formula:C22H26N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-3-phenylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-3-phenylprop-2-en-1-one |
| MolecularFormula | C22H26N2O3 |
| Smiles | OC(CN(CC1)CCN1C(/C=C/c1ccccc1)=O)COc1ccccc1 |
| InChI | InChI=1S/C22H26N2O3/c25-20(18-27-21-9-5-2-6-10-21)17-23-13-15-24(16-14-23)22(26)12-11-19-7-3-1-4-8-19/h1-12,20,25H,13-18H2/t20-/m0/s1 |
| InChIK | HCWPORNPJZRLPC-FQEVSTJZSA-N |
| TotalMolweight | 366.459 |
| Molweight | 366.459 |
| MonoisotopicMass | 366.194343 |
| CLogP | 2.6301 |
| CLogS | -2.319 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 295.78 |
| Relative PSA | 0.14619 |
| PolarSurfaceArea | 53.01 |
| Druglikeness | 7.4896 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-3-phenylprop-2-en-1-one | 2 - (E)-1-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off