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DocumentationIdentifier: MM323130
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM323130 |
| SMILES |
O=C(C#CC(F)CO)CO
|
| InChIKey |
WRYVKLCBNUDQPL-UHFFFAOYSA-N
|
| MW [Da] |
146.12
Automatically obtained from RDkit software. |
| LogP |
-1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146097
Similarity: 0.835
Similarity to MM146097
| Tanimoto metric | 0.835 |
|---|---|
| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79270
Similarity: 0.7073
Similarity to MM79270
| Tanimoto metric | 0.7073 |
|---|---|
| Cosine metric | 0.8287 |
| Dice metric | 0.8286 |
| MW: | 140.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79305
Similarity: 0.7049
Similarity to MM79305
| Tanimoto metric | 0.7049 |
|---|---|
| Cosine metric | 0.827 |
| Dice metric | 0.8269 |
| MW: | 140.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+283 more
