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DocumentationIdentifier: MM307297
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307297 |
| SMILES |
C=C(CC)C(C)(C#N)C#N
|
| InChIKey |
LTDCOSVCDIFKOQ-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137881
Similarity: 0.8351
Similarity to MM137881
| Tanimoto metric | 0.8351 |
|---|---|
| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242359
Similarity: 0.648
Similarity to MM242359
| Tanimoto metric | 0.648 |
|---|---|
| Cosine metric | 0.7877 |
| Dice metric | 0.7864 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM223906
Similarity: 0.6455
Similarity to MM223906
| Tanimoto metric | 0.6455 |
|---|---|
| Cosine metric | 0.7866 |
| Dice metric | 0.7845 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+230 more
