(2S)-5-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine
Formula:C15H19N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S)-5-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine is a drug-like molecule.
| MolName | (2S)-5-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine |
| MolecularFormula | C15H19N3S |
| Smiles | NC1[C@@H](c2c(CC3)c(cccc4)c4[nH]2)N3CCSC1 |
| InChI | InChI=1S/C15H19N3S/c16-12-9-19-8-7-18-6-5-11-10-3-1-2-4-13(10)17-14(11)15(12)18/h1-4,12,15,17H,5-9,16H2/t12?,15-/m1/s1 |
| InChIK | KUVKPOJBDBBXFW-WPZCJLIBSA-N |
| TotalMolweight | 273.403 |
| Molweight | 273.403 |
| MonoisotopicMass | 273.129967 |
| CLogP | 1.188 |
| CLogS | -2.499 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 200.54 |
| Relative PSA | 0.25082 |
| PolarSurfaceArea | 70.35 |
| Druglikeness | 3.5835 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 10 |
| Amines | 2 |
| AlkylAmines | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (2S)-5-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine | 2 - (2S)-5-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine
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