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DocumentationIdentifier: MM265392
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM265392 |
| SMILES |
COC=C(C)CC(C)CN
|
| InChIKey |
QXRUEXKMJWDOSA-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8364 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6117 |
|---|---|
| Cosine metric | 0.7685 |
| Dice metric | 0.759 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM372319
Similarity: 0.5794
Similarity to MM372319
| Tanimoto metric | 0.5794 |
|---|---|
| Cosine metric | 0.7406 |
| Dice metric | 0.7337 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+565 more
