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DocumentationIdentifier: MM153917
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM153917 |
| SMILES |
CCCC#CCC(=N)N
|
| InChIKey |
XLOFAAFJSCSUOH-UHFFFAOYSA-N
|
| MW [Da] |
124.19
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM289025
Similarity: 0.9385
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| Tanimoto metric | 0.9385 |
|---|---|
| Cosine metric | 0.9687 |
| Dice metric | 0.9683 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9542 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM106172
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Similarity to MM106172
| Tanimoto metric | 0.8361 |
|---|---|
| Cosine metric | 0.9144 |
| Dice metric | 0.9107 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+205 more
