N-(pyridin-2-ylmethyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine
Formula:C17H16N6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(pyridin-2-ylmethyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine is a drug-like molecule.
| MolName | N-(pyridin-2-ylmethyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine |
| MolecularFormula | C17H16N6S |
| Smiles | C(c1ncccc1)Nc1nc(sc2c3CCCC2)c3c2ncnn12 |
| InChI | InChI=1S/C17H16N6S/c1-2-7-13-12(6-1)14-15-20-10-21-23(15)17(22-16(14)24-13)19-9-11-5-3-4-8-18-11/h3-5,8,10H,1-2,6-7,9H2,(H,19,22) |
| InChIK | YGCZQQQTBQDVLM-UHFFFAOYSA-N |
| TotalMolweight | 336.422 |
| Molweight | 336.422 |
| MonoisotopicMass | 336.115714 |
| CLogP | 2.2007 |
| CLogS | -5.866 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 250.61 |
| Relative PSA | 0.33379 |
| PolarSurfaceArea | 96.24 |
| Druglikeness | 0.58275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 5 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(pyridin-2-ylmethyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine | 2 - N-(pyridin-2-ylmethyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-amine
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