(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Formula:C24H25N2O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione |
| MolecularFormula | C24H25N2O5Cl |
| Smiles | O/C(/c(cc1)ccc1Cl)=C(\C(c(cc1)ccc1O)N(CCCN1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C24H25ClN2O5/c25-18-6-2-17(3-7-18)22(29)20-21(16-4-8-19(28)9-5-16)27(24(31)23(20)30)11-1-10-26-12-14-32-15-13-26/h2-9,21,28-29H,1,10-15H2/t21-/m1/s1 |
| InChIK | GKLKHSMDRYBVOP-OAQYLSRUSA-N |
| TotalMolweight | 456.925 |
| Molweight | 456.925 |
| MonoisotopicMass | 456.1452 |
| CLogP | 2.3226 |
| CLogS | -2.348 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 331.98 |
| Relative PSA | 0.20899 |
| PolarSurfaceArea | 90.31 |
| Druglikeness | 0.85473 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione | 2 - (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-hydroxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off