3-hydroxy-4-iodo-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
Formula:C22H21N4O4I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-4-iodo-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 3-hydroxy-4-iodo-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide |
| MolecularFormula | C22H21N4O4I |
| Smiles | Oc(cc(cc1)C(N/N=C\c2cn(CC(N3CCOCC3)=O)c3c2cccc3)=O)c1I |
| InChI | InChI=1S/C22H21IN4O4/c23-18-6-5-15(11-20(18)28)22(30)25-24-12-16-13-27(19-4-2-1-3-17(16)19)14-21(29)26-7-9-31-10-8-26/h1-6,11-13,28H,7-10,14H2,(H,25,30) |
| InChIK | ZOWMEMNFWVVHOP-UHFFFAOYSA-N |
| TotalMolweight | 532.333 |
| Molweight | 532.333 |
| MonoisotopicMass | 532.060754 |
| CLogP | 2.6341 |
| CLogS | -3.806 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 336.77 |
| Relative PSA | 0.24518 |
| PolarSurfaceArea | 96.16 |
| Druglikeness | 6.5962 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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