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DocumentationIdentifier: MM130309
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130309 |
| SMILES |
CC(C#N)=CC(C)(C)O
|
| InChIKey |
YXZLOXCGMKGXKY-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
1.23
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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MM227528
Similarity: 0.7522
Similarity to MM227528
| Tanimoto metric | 0.7522 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8586 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM227634
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| Tanimoto metric | 0.7456 |
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| Cosine metric | 0.8635 |
| Dice metric | 0.8543 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM104945
Similarity: 0.7412
Similarity to MM104945
| Tanimoto metric | 0.7412 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8514 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+571 more
