(2S)-7-oxa-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine
Formula:C15H19N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2S)-7-oxa-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-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine |
| MolecularFormula | C15H19N3O |
| Smiles | NC1[C@@H](c2c(CC3)c(cccc4)c4[nH]2)N3OCCC1 |
| InChI | InChI=1S/C15H19N3O/c16-12-5-3-9-19-18-8-7-11-10-4-1-2-6-13(10)17-14(11)15(12)18/h1-2,4,6,12,15,17H,3,5,7-9,16H2/t12?,15-/m0/s1 |
| InChIK | GSBPCFNXHOYSTE-CVRLYYSRSA-N |
| TotalMolweight | 257.336 |
| Molweight | 257.336 |
| MonoisotopicMass | 257.152812 |
| CLogP | 1.0401 |
| CLogS | -2.576 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 193.05 |
| Relative PSA | 0.22176 |
| PolarSurfaceArea | 54.28 |
| Druglikeness | -0.25291 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| 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 | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (2S)-7-oxa-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine | 2 - (2S)-7-oxa-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),12,14,16-tetraen-3-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off