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DocumentationIdentifier: MM221413
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221413 |
| SMILES |
CC(=CC(C)(C)C)CC#N
|
| InChIKey |
ZRJRFNQTTXACCN-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
2.89
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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MM136398
Similarity: 0.863
Similarity to MM136398
| Tanimoto metric | 0.863 |
|---|---|
| Cosine metric | 0.929 |
| Dice metric | 0.9265 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM130265
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| Tanimoto metric | 0.7123 |
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| Cosine metric | 0.844 |
| Dice metric | 0.832 |
| MW: | 126.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM267479
Similarity: 0.7
Similarity to MM267479
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8244 |
| Dice metric | 0.8235 |
| MW: | 135.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+536 more
