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DocumentationIdentifier: MM144621
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144621 |
| SMILES |
C=C(CN)COC(C)C
|
| InChIKey |
ABNLOPMBJSQPRJ-UHFFFAOYSA-N
|
| MW [Da] |
129.2
Automatically obtained from RDkit software. |
| LogP |
0.93
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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MM224898
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| Tanimoto metric | 0.8659 |
|---|---|
| Cosine metric | 0.9305 |
| Dice metric | 0.9281 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM70750
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| Tanimoto metric | 0.8169 |
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| Cosine metric | 0.9038 |
| Dice metric | 0.8992 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM209122
Similarity: 0.7889
Similarity to MM209122
| Tanimoto metric | 0.7889 |
|---|---|
| Cosine metric | 0.8882 |
| Dice metric | 0.882 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+506 more
