(E)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-en-1-one
Formula:C38H33N2OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(4-benzhydrylpiperazin-1-yl)-3-(4-fluorophenyl)-2-(4-phenylphenyl)prop-2-en-1-one |
| MolecularFormula | C38H33N2OF |
| Smiles | O=C(/C(/c(cc1)ccc1-c1ccccc1)=C/c(cc1)ccc1F)N(CC1)CCN1C(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C38H33FN2O/c39-35-22-16-29(17-23-35)28-36(32-20-18-31(19-21-32)30-10-4-1-5-11-30)38(42)41-26-24-40(25-27-41)37(33-12-6-2-7-13-33)34-14-8-3-9-15-34/h1-23,28,37H,24-27H2 |
| InChIK | HOPABJQSOVRYDN-UHFFFAOYSA-N |
| TotalMolweight | 552.691 |
| Molweight | 552.691 |
| MonoisotopicMass | 552.257691 |
| CLogP | 8.0032 |
| CLogS | -7.138 |
| H Acceptors | 3 |
| TotalSurfaceArea | 435.75 |
| Relative PSA | 0.046219 |
| PolarSurfaceArea | 23.55 |
| Druglikeness | 6.3494 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45238 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 30 |
| Sp3Atoms | 6 |
| Symmetricatoms | 16 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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