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DocumentationIdentifier: MM344701
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM344701 |
| SMILES |
COC(C#CC(C)O)CO
|
| InChIKey |
ZQCFIJYZOHEFCR-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM431620
Similarity: 0.8144
Similarity to MM431620
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8977 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM431653
Similarity: 0.8144
Similarity to MM431653
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.8992 |
| Dice metric | 0.8977 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM201191
Similarity: 0.8065
Similarity to MM201191
| Tanimoto metric | 0.8065 |
|---|---|
| Cosine metric | 0.898 |
| Dice metric | 0.8929 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+790 more
