4-hydroxy-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
Formula:C22H22N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-hydroxy-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 4-hydroxy-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide |
| MolecularFormula | C22H22N4O4 |
| Smiles | Oc(cc1)ccc1C(N/N=C\c1cn(CC(N2CCOCC2)=O)c2c1cccc2)=O |
| InChI | InChI=1S/C22H22N4O4/c27-18-7-5-16(6-8-18)22(29)24-23-13-17-14-26(20-4-2-1-3-19(17)20)15-21(28)25-9-11-30-12-10-25/h1-8,13-14,27H,9-12,15H2,(H,24,29) |
| InChIK | LBSUKWMOVVTIAN-UHFFFAOYSA-N |
| TotalMolweight | 406.441 |
| Molweight | 406.441 |
| MonoisotopicMass | 406.164106 |
| CLogP | 2.197 |
| CLogS | -2.79 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 310.49 |
| Relative PSA | 0.26593 |
| PolarSurfaceArea | 96.16 |
| Druglikeness | 6.2403 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-hydroxy-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide | 2 - 4-hydroxy-N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
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