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DocumentationIdentifier: MM351713
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351713 |
| SMILES |
C#CC(C)C(=N)N(C)C=C
|
| InChIKey |
DYEHEBIXOMJIDA-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173555
Similarity: 0.7293
Similarity to MM173555
| Tanimoto metric | 0.7293 |
|---|---|
| Cosine metric | 0.854 |
| Dice metric | 0.8435 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173509
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Similarity to MM173509
| Tanimoto metric | 0.7293 |
|---|---|
| Cosine metric | 0.854 |
| Dice metric | 0.8435 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM160896
Similarity: 0.7143
Similarity to MM160896
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+536 more
