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DocumentationIdentifier: MM314437
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM314437 |
| SMILES |
CC1(C)NC1C(C#N)C#N
|
| InChIKey |
QSCYQSONNJJCCU-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM140439
Similarity: 0.9036
Similarity to MM140439
| Tanimoto metric | 0.9036 |
|---|---|
| Cosine metric | 0.9506 |
| Dice metric | 0.9494 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM195173
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Similarity to MM195173
| Tanimoto metric | 0.7892 |
|---|---|
| Cosine metric | 0.8883 |
| Dice metric | 0.8822 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM328479
Similarity: 0.7317
Similarity to MM328479
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8468 |
| Dice metric | 0.8451 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+84 more
