2-[(7-morpholin-4-yl-10-thia-13,15-diaza-8-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)amino]ethanol
Formula:C18H22N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(7-morpholin-4-yl-10-thia-13,15-diaza-8-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)amino]ethanol is a drug-like molecule.
| MolName | 2-[(7-morpholin-4-yl-10-thia-13,15-diaza-8-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)amino]ethanol |
| MolecularFormula | C18H22N5O2S |
| Smiles | OCCNc1c2sc3[nH+]c(N4CCOCC4)c(CCC4)c4c3c2ncn1 |
| InChI | InChI=1S/C18H21N5O2S/c24-7-4-19-16-15-14(20-10-21-16)13-11-2-1-3-12(11)17(22-18(13)26-15)23-5-8-25-9-6-23/h10,24H,1-9H2,(H,19,20,21)/p+1 |
| InChIK | ZTDHVDAGPTYZFR-UHFFFAOYSA-O |
| TotalMolweight | 372.472 |
| Molweight | 372.472 |
| MonoisotopicMass | 372.14942 |
| CLogP | -0.3566 |
| CLogS | -4.845 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 258.66 |
| Relative PSA | 0.31087 |
| PolarSurfaceArea | 112.89 |
| Druglikeness | -1.4393 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(7-morpholin-4-yl-10-thia-13,15-diaza-8-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)amino]ethanol | 2 - 2-[(7-morpholin-4-yl-10-thia-13,15-diaza-8-azoniatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)amino]ethanol
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