N-cyclohexyl-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-amine
Formula:C22H28N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-cyclohexyl-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-amine is a drug-like molecule.
| MolName | N-cyclohexyl-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-amine |
| MolecularFormula | C22H28N5OS |
| Smiles | C1Cc2c(N3CCOCC3)[nH+]c3sc4c(NC5CCCCC5)ncnc4c3c2C1 |
| InChI | InChI=1S/C22H27N5OS/c1-2-5-14(6-3-1)25-20-19-18(23-13-24-20)17-15-7-4-8-16(15)21(26-22(17)29-19)27-9-11-28-12-10-27/h13-14H,1-12H2,(H,23,24,25)/p+1 |
| InChIK | BDNIMBDRHOXBCI-UHFFFAOYSA-O |
| TotalMolweight | 410.564 |
| Molweight | 410.564 |
| MonoisotopicMass | 410.201455 |
| CLogP | 1.7195 |
| CLogS | -6.626 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 292.59 |
| Relative PSA | 0.23005 |
| PolarSurfaceArea | 92.66 |
| Druglikeness | -3.3713 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 13 |
| Sp3Atoms | 15 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-cyclohexyl-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-amine | 2 - N-cyclohexyl-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-amine
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