(5E)-3-[(4-chlorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione
Formula:C25H23N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-3-[(4-chlorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-3-[(4-chlorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C25H23N4O4Cl |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=C(\C(N2Cc(cc3)ccc3Cl)=O)/NC2=O)c1)N1CCOCC1 |
| InChI | InChI=1S/C25H23ClN4O4/c26-19-7-5-17(6-8-19)14-30-24(32)21(27-25(30)33)13-18-15-29(22-4-2-1-3-20(18)22)16-23(31)28-9-11-34-12-10-28/h1-8,13,15H,9-12,14,16H2,(H,27,33) |
| InChIK | RDMSHKIKSYCQAA-UHFFFAOYSA-N |
| TotalMolweight | 478.935 |
| Molweight | 478.935 |
| MonoisotopicMass | 478.140783 |
| CLogP | 2.4864 |
| CLogS | -3.798 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 347.82 |
| Relative PSA | 0.21434 |
| PolarSurfaceArea | 83.88 |
| Druglikeness | 5.0028 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-3-[(4-chlorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione | 2 - (5E)-3-[(4-chlorophenyl)methyl]-5-[[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off