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DocumentationIdentifier: MM151855
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM151855 |
| SMILES |
C#CC1NC1C(C)(C)C
|
| InChIKey |
MLJFFQLWXKDWHM-UHFFFAOYSA-N
|
| MW [Da] |
123.2
Automatically obtained from RDkit software. |
| LogP |
1.01
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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MM125150
Similarity: 0.8231
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| Tanimoto metric | 0.8231 |
|---|---|
| Cosine metric | 0.9072 |
| Dice metric | 0.903 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM345369
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| Tanimoto metric | 0.7263 |
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| Cosine metric | 0.8522 |
| Dice metric | 0.8414 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM345307
Similarity: 0.7104
Similarity to MM345307
| Tanimoto metric | 0.7104 |
|---|---|
| Cosine metric | 0.8428 |
| Dice metric | 0.8307 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+313 more
