2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-9-ium-13-yl)amino]ethanol
Formula:C19H24N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-9-ium-13-yl)amino]ethanol is a drug-like molecule.
| MolName | 2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-9-ium-13-yl)amino]ethanol |
| MolecularFormula | C19H24N5O2S |
| Smiles | OCCNc1c2sc3[nH+]c(N4CCOCC4)c(CCCC4)c4c3c2ncn1 |
| InChI | InChI=1S/C19H23N5O2S/c25-8-5-20-17-16-15(21-11-22-17)14-12-3-1-2-4-13(12)18(23-19(14)27-16)24-6-9-26-10-7-24/h11,25H,1-10H2,(H,20,21,22)/p+1 |
| InChIK | KADBAKQUMLWUIJ-UHFFFAOYSA-O |
| TotalMolweight | 386.499 |
| Molweight | 386.499 |
| MonoisotopicMass | 386.16507 |
| CLogP | -0.0146 |
| CLogS | -5.115 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 272.42 |
| Relative PSA | 0.29517 |
| PolarSurfaceArea | 112.89 |
| Druglikeness | -3.7693 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 13 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-9-ium-13-yl)amino]ethanol | 2 - 2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-9-ium-13-yl)amino]ethanol
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