N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]naphthalene-2-carboxamide
Formula:C26H24N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]naphthalene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C26H24N4O3 |
| Smiles | O=C(Cn1c(cccc2)c2c(/C=N\NC(c2cc3ccccc3cc2)=O)c1)N1CCOCC1 |
| InChI | InChI=1S/C26H24N4O3/c31-25(29-11-13-33-14-12-29)18-30-17-22(23-7-3-4-8-24(23)30)16-27-28-26(32)21-10-9-19-5-1-2-6-20(19)15-21/h1-10,15-17H,11-14,18H2,(H,28,32) |
| InChIK | TYDDTOOXDVMWRX-UHFFFAOYSA-N |
| TotalMolweight | 440.502 |
| Molweight | 440.502 |
| MonoisotopicMass | 440.184841 |
| CLogP | 3.7371 |
| CLogS | -4.692 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 338.74 |
| Relative PSA | 0.20508 |
| PolarSurfaceArea | 75.93 |
| Druglikeness | 6.247 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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