N-[(4-fluorophenyl)methyl]-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
Formula:C31H31N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(4-fluorophenyl)methyl]-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is not a drug-like molecule.
| MolName | N-[(4-fluorophenyl)methyl]-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide |
| MolecularFormula | C31H31N4O3F |
| Smiles | O=C(CN(CN(C1(CC2)CCN2C(/C=C/c2ccccc2)=O)c2ccccc2)C1=O)NCc(cc1)ccc1F |
| InChI | InChI=1S/C31H31FN4O3/c32-26-14-11-25(12-15-26)21-33-28(37)22-35-23-36(27-9-5-2-6-10-27)31(30(35)39)17-19-34(20-18-31)29(38)16-13-24-7-3-1-4-8-24/h1-16H,17-23H2,(H,33,37) |
| InChIK | DVOMVDXJOLLVRJ-UHFFFAOYSA-N |
| TotalMolweight | 526.61 |
| Molweight | 526.61 |
| MonoisotopicMass | 526.238019 |
| CLogP | 3.7376 |
| CLogS | -4.954 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 400.97 |
| Relative PSA | 0.1527 |
| PolarSurfaceArea | 72.96 |
| Druglikeness | 5.7739 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5641 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 8 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(4-fluorophenyl)methyl]-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide | 2 - N-[(4-fluorophenyl)methyl]-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
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