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DocumentationIdentifier: MM226607
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226607 |
| SMILES |
C#CC(C)(C)CN(C)C=N
|
| InChIKey |
DNCABPAXNVTYSS-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.18
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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MM141893
Similarity: 0.8242
Similarity to MM141893
| Tanimoto metric | 0.8242 |
|---|---|
| Cosine metric | 0.9078 |
| Dice metric | 0.9036 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM138513
Similarity: 0.7473
Similarity to MM138513
| Tanimoto metric | 0.7473 |
|---|---|
| Cosine metric | 0.8644 |
| Dice metric | 0.8553 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM264677
Similarity: 0.6944
Similarity to MM264677
| Tanimoto metric | 0.6944 |
|---|---|
| Cosine metric | 0.8197 |
| Dice metric | 0.8197 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+448 more
