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DocumentationIdentifier: MM76702
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76702 |
| SMILES |
CC(C#N)C(C)(C#N)C#N
|
| InChIKey |
YHPCQJBWJUJHKS-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
1.2
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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MM229841
Similarity: 0.8485
Similarity to MM229841
| Tanimoto metric | 0.8485 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.918 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM42367
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| Tanimoto metric | 0.8125 |
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| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 119.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.95 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM139931
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Similarity to MM139931
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+165 more
