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]ethoxy]ethanol
Formula:C20H26N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
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]ethoxy]ethanol is a drug-like molecule.
| MolName | 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]ethoxy]ethanol |
| MolecularFormula | C20H26N5O3S |
| Smiles | OCCOCCNc1c2sc3[nH+]c(N4CCOCC4)c(CCC4)c4c3c2ncn1 |
| InChI | InChI=1S/C20H25N5O3S/c26-7-11-27-8-4-21-18-17-16(22-12-23-18)15-13-2-1-3-14(13)19(24-20(15)29-17)25-5-9-28-10-6-25/h12,26H,1-11H2,(H,21,22,23)/p+1 |
| InChIK | AZFGITPCEKLMAX-UHFFFAOYSA-O |
| TotalMolweight | 416.524 |
| Molweight | 416.524 |
| MonoisotopicMass | 416.175635 |
| CLogP | -0.4491 |
| CLogS | -4.766 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 296.18 |
| Relative PSA | 0.30525 |
| PolarSurfaceArea | 122.12 |
| Druglikeness | -3.3674 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 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]ethoxy]ethanol | 2 - 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]ethoxy]ethanol
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