2-[(8-morpholin-4-yl-11-thia-14,15,16-triaza-9-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)amino]ethanol
Formula:C18H23N6O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(8-morpholin-4-yl-11-thia-14,15,16-triaza-9-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)amino]ethanol is a drug-like molecule.
| MolName | 2-[(8-morpholin-4-yl-11-thia-14,15,16-triaza-9-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)amino]ethanol |
| MolecularFormula | C18H23N6O2S |
| Smiles | OCCNc1c2sc3[nH+]c(N4CCOCC4)c(CCCC4)c4c3c2nnn1 |
| InChI | InChI=1S/C18H22N6O2S/c25-8-5-19-16-15-14(21-23-22-16)13-11-3-1-2-4-12(11)17(20-18(13)27-15)24-6-9-26-10-7-24/h25H,1-10H2,(H,19,21,22)/p+1 |
| InChIK | OMSMSHMTNBLHDL-UHFFFAOYSA-O |
| TotalMolweight | 387.487 |
| Molweight | 387.487 |
| MonoisotopicMass | 387.160319 |
| CLogP | -0.6356 |
| CLogS | -4.862 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 271.18 |
| Relative PSA | 0.33697 |
| PolarSurfaceArea | 125.78 |
| Druglikeness | -3.7693 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 13 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(8-morpholin-4-yl-11-thia-14,15,16-triaza-9-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)amino]ethanol | 2 - 2-[(8-morpholin-4-yl-11-thia-14,15,16-triaza-9-azoniatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)amino]ethanol
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