[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
Formula:C27H26N3O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is not a drug-like molecule.
| MolName | [4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone |
| MolecularFormula | C27H26N3O2Cl |
| Smiles | O=C(c1cc(occ2)c2n1Cc1cccc(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C27H26ClN3O2/c28-23-10-4-8-22(18-23)20-31-24-11-17-33-26(24)19-25(31)27(32)30-15-13-29(14-16-30)12-5-9-21-6-2-1-3-7-21/h1-11,17-19H,12-16,20H2 |
| InChIK | XMZKKRPFCCYKPJ-UHFFFAOYSA-N |
| TotalMolweight | 459.975 |
| Molweight | 459.975 |
| MonoisotopicMass | 459.171354 |
| CLogP | 5.0695 |
| CLogS | -3.959 |
| H Acceptors | 5 |
| TotalSurfaceArea | 355.6 |
| Relative PSA | 0.11564 |
| PolarSurfaceArea | 41.62 |
| Druglikeness | 8.3111 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - [4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone | 2 - [4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
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