N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
Formula:C18H18N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide |
| MolecularFormula | C18H18N4O2S |
| Smiles | O=C(c1c[nH]c2c1cccc2)N/N=C\c1ccc(N2CCOCC2)s1 |
| InChI | InChI=1S/C18H18N4O2S/c23-18(15-12-19-16-4-2-1-3-14(15)16)21-20-11-13-5-6-17(25-13)22-7-9-24-10-8-22/h1-6,11-12,19H,7-10H2,(H,21,23) |
| InChIK | KHHAKZSPJZTKCZ-UHFFFAOYSA-N |
| TotalMolweight | 354.433 |
| Molweight | 354.433 |
| MonoisotopicMass | 354.115046 |
| CLogP | 2.9662 |
| CLogS | -4.509 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 268.94 |
| Relative PSA | 0.312 |
| PolarSurfaceArea | 97.96 |
| Druglikeness | 7.0577 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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