1-phenyl-4-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrrolidin-2-one
Formula:C26H29N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-phenyl-4-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrrolidin-2-one is a drug-like molecule.
| MolName | 1-phenyl-4-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrrolidin-2-one |
| MolecularFormula | C26H29N3O3S |
| Smiles | O=C(C(CC1=O)CN1c1ccccc1)N(CC1)CC1(CC1)CCN1C(/C=C/c1cscc1)=O |
| InChI | InChI=1S/C26H29N3O3S/c30-23(7-6-20-8-15-33-18-20)27-12-9-26(10-13-27)11-14-28(19-26)25(32)21-16-24(31)29(17-21)22-4-2-1-3-5-22/h1-8,15,18,21H,9-14,16-17,19H2/t21-/m0/s1 |
| InChIK | GJXZTBLWNWYYDI-NRFANRHFSA-N |
| TotalMolweight | 463.6 |
| Molweight | 463.6 |
| MonoisotopicMass | 463.192962 |
| CLogP | 3.4817 |
| CLogS | -3.839 |
| H Acceptors | 6 |
| TotalSurfaceArea | 345.86 |
| Relative PSA | 0.20277 |
| PolarSurfaceArea | 89.17 |
| Druglikeness | 5.7811 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 1-phenyl-4-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrrolidin-2-one | 2 - 1-phenyl-4-[8-[(E)-3-thiophen-3-ylprop-2-enoyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrrolidin-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off