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DocumentationIdentifier: MM131392
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM131392 |
| SMILES |
C#CC(NC)C(C)(C)O
|
| InChIKey |
DYMYNBKJPLAGCE-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
-0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116967
Similarity: 0.7193
Similarity to MM116967
| Tanimoto metric | 0.7193 |
|---|---|
| Cosine metric | 0.8481 |
| Dice metric | 0.8367 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102601
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Similarity to MM102601
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8272 |
| Dice metric | 0.8125 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM238944
Similarity: 0.6628
Similarity to MM238944
| Tanimoto metric | 0.6628 |
|---|---|
| Cosine metric | 0.8141 |
| Dice metric | 0.7972 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+559 more
