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DocumentationIdentifier: MM393495
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393495 |
| SMILES |
C=CCNC(C#N)C(=N)N
|
| InChIKey |
RLNDBLNKYSIWGO-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.41
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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MM179964
Similarity: 0.8231
Similarity to MM179964
| Tanimoto metric | 0.8231 |
|---|---|
| Cosine metric | 0.9072 |
| Dice metric | 0.903 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM33178
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Similarity to MM33178
| Tanimoto metric | 0.7329 |
|---|---|
| Cosine metric | 0.8462 |
| Dice metric | 0.8458 |
| MW: | 137.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393499
Similarity: 0.6903
Similarity to MM393499
| Tanimoto metric | 0.6903 |
|---|---|
| Cosine metric | 0.8168 |
| Dice metric | 0.8168 |
| MW: | 140.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+35 more
