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DocumentationIdentifier: MM297489
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM297489 |
| SMILES |
CC(O)C(C)C(C#N)CO
|
| InChIKey |
SWGQEHQKOOQAGH-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149741
Similarity: 0.75
Similarity to MM149741
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400528
Similarity: 0.7411
Similarity to MM400528
| Tanimoto metric | 0.7411 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8513 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72536
Similarity: 0.675
Similarity to MM72536
| Tanimoto metric | 0.675 |
|---|---|
| Cosine metric | 0.8082 |
| Dice metric | 0.806 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+316 more
