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DocumentationIdentifier: MM82457
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82457 |
| SMILES |
C#CCNC(CCN)=NC
|
| InChIKey |
NAEKFKSUOQUJLQ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
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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MM156351
Similarity: 0.713
Similarity to MM156351
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8324 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272964
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Similarity to MM272964
| Tanimoto metric | 0.6772 |
|---|---|
| Cosine metric | 0.8076 |
| Dice metric | 0.8075 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM376543
Similarity: 0.6519
Similarity to MM376543
| Tanimoto metric | 0.6519 |
|---|---|
| Cosine metric | 0.7896 |
| Dice metric | 0.7892 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+319 more
