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DocumentationIdentifier: MM272514
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272514 |
| SMILES |
C=CCC(C=C)CC(=N)N
|
| InChIKey |
OWXYPOCOIIXWMN-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.69
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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MM149988
Similarity: 0.7905
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| Tanimoto metric | 0.7905 |
|---|---|
| Cosine metric | 0.8891 |
| Dice metric | 0.883 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM135264
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| Tanimoto metric | 0.7429 |
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| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM272407
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Similarity to MM272407
| Tanimoto metric | 0.7217 |
|---|---|
| Cosine metric | 0.8399 |
| Dice metric | 0.8384 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+302 more
