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DocumentationIdentifier: MM312769
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312769 |
| SMILES |
N#CC(C#N)(CO)CCO
|
| InChIKey |
CREDBYBGCXIAAS-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.61
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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MM139330
Similarity: 0.8315
Similarity to MM139330
| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.908 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM78062
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Similarity to MM78062
| Tanimoto metric | 0.7624 |
|---|---|
| Cosine metric | 0.8652 |
| Dice metric | 0.8652 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312517
Similarity: 0.7184
Similarity to MM312517
| Tanimoto metric | 0.7184 |
|---|---|
| Cosine metric | 0.8362 |
| Dice metric | 0.8362 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+347 more
