3-hydroxy-1-(morpholin-4-ylmethyl)-3-[(E)-2-oxo-4-phenylbut-3-enyl]indol-2-one
Formula:C23H24N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-1-(morpholin-4-ylmethyl)-3-[(E)-2-oxo-4-phenylbut-3-enyl]indol-2-one is a drug-like molecule.
| MolName | 3-hydroxy-1-(morpholin-4-ylmethyl)-3-[(E)-2-oxo-4-phenylbut-3-enyl]indol-2-one |
| MolecularFormula | C23H24N2O4 |
| Smiles | OC(CC(/C=C/c1ccccc1)=O)(c(cccc1)c1N1CN2CCOCC2)C1=O |
| InChI | InChI=1S/C23H24N2O4/c26-19(11-10-18-6-2-1-3-7-18)16-23(28)20-8-4-5-9-21(20)25(22(23)27)17-24-12-14-29-15-13-24/h1-11,28H,12-17H2/t23-/m0/s1 |
| InChIK | PSFBEPOVEIOALP-QHCPKHFHSA-N |
| TotalMolweight | 392.454 |
| Molweight | 392.454 |
| MonoisotopicMass | 392.173608 |
| CLogP | 2.1108 |
| CLogS | -3.6 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 297.94 |
| Relative PSA | 0.1889 |
| PolarSurfaceArea | 70.08 |
| Druglikeness | 4.8628 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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