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]ethylazanium
Formula:C18H24N6OS
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]ethylazanium 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]ethylazanium |
| MolecularFormula | C18H24N6OS |
| Smiles | [NH3+]CCNc1c2sc3[nH+]c(N4CCOCC4)c(CCC4)c4c3c2ncn1 |
| InChI | InChI=1S/C18H22N6OS/c19-4-5-20-16-15-14(21-10-22-16)13-11-2-1-3-12(11)17(23-18(13)26-15)24-6-8-25-9-7-24/h10H,1-9,19H2,(H,20,21,22)/p+2 |
| InChIK | VFKAKVDOOXXYBF-UHFFFAOYSA-P |
| TotalMolweight | 372.496 |
| Molweight | 372.496 |
| MonoisotopicMass | 372.173229 |
| CLogP | -3.9252 |
| CLogS | -4.921 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 260.04 |
| Relative PSA | 0.31453 |
| PolarSurfaceArea | 120.3 |
| Druglikeness | -2.7966 |
| 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 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 2 |
| 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]ethylazanium | 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]ethylazanium
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off