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DocumentationIdentifier: MM252667
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM252667 |
| SMILES |
CC(C)C#CC(C)NC=N
|
| InChIKey |
SJKMQKQANAKVRD-UHFFFAOYSA-N
|
| MW [Da] |
138.21
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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| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7292 |
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| Cosine metric | 0.8434 |
| Dice metric | 0.8434 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
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| AI: | 0
Total active interactions
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MM252669
Similarity: 0.7143
Similarity to MM252669
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8333 |
| Dice metric | 0.8333 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+288 more
