(2S)-7-oxa-5-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine
Formula:C14H17N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2S)-7-oxa-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)-7-oxa-5-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine |
| MolecularFormula | C14H17N3OS |
| Smiles | NC1[C@@H](c2c(CC3)c(cccc4)c4[nH]2)N3OCSC1 |
| InChI | InChI=1S/C14H17N3OS/c15-11-7-19-8-18-17-6-5-10-9-3-1-2-4-12(9)16-13(10)14(11)17/h1-4,11,14,16H,5-8,15H2/t11?,14-/m1/s1 |
| InChIK | SFAMFXNCPDEYGA-SBXXRYSUSA-N |
| TotalMolweight | 275.375 |
| Molweight | 275.375 |
| MonoisotopicMass | 275.109232 |
| CLogP | 0.9207 |
| CLogS | -3.211 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 196.78 |
| Relative PSA | 0.30643 |
| PolarSurfaceArea | 79.58 |
| Druglikeness | 2.515 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (2S)-7-oxa-5-thia-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine | 2 - (2S)-7-oxa-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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