(1S,11R,15R)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene
Formula:C15H20N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S,11R,15R)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene is a drug-like molecule.
| MolName | (1S,11R,15R)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene |
| MolecularFormula | C15H20N4O3 |
| Smiles | [O-][N+]([C@]1([C@@H]2CCC1)N1CCOCC1)=C1[C@@H]2c2nonc2CC1 |
| InChI | InChI=1S/C15H20N4O3/c20-19-12-4-3-11-14(17-22-16-11)13(12)10-2-1-5-15(10,19)18-6-8-21-9-7-18/h10,13H,1-9H2/t10-,13+,15-/m1/s1 |
| InChIK | VUVWTFLFMZIMLX-RIEGTJTDSA-N |
| TotalMolweight | 304.349 |
| Molweight | 304.349 |
| MonoisotopicMass | 304.153541 |
| CLogP | 0.9359 |
| CLogS | 0.754 |
| H Acceptors | 7 |
| TotalSurfaceArea | 214.86 |
| Relative PSA | 0.31174 |
| PolarSurfaceArea | 80.14 |
| Druglikeness | -2.6017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitrone |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1S,11R,15R)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene | 2 - (1S,11R,15R)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene
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