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DocumentationIdentifier: MM383023
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383023 |
| SMILES |
N#CC(O)C(=CCO)CO
|
| InChIKey |
QUJHUBGGUWXEBZ-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-1.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53649
Similarity: 0.8217
Similarity to MM53649
| Tanimoto metric | 0.8217 |
|---|---|
| Cosine metric | 0.9065 |
| Dice metric | 0.9021 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96026
Similarity: 0.7778
Similarity to MM96026
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.875 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96112
Similarity: 0.7114
Similarity to MM96112
| Tanimoto metric | 0.7114 |
|---|---|
| Cosine metric | 0.8314 |
| Dice metric | 0.8314 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+194 more
