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DocumentationIdentifier: MM243450
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243450 |
| SMILES |
CC#CC(F)(C=O)CCO
|
| InChIKey |
SBNFMXFKZXANAL-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM311864
Similarity: 0.6566
Similarity to MM311864
| Tanimoto metric | 0.6566 |
|---|---|
| Cosine metric | 0.7946 |
| Dice metric | 0.7927 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58924
Similarity: 0.651
Similarity to MM58924
| Tanimoto metric | 0.651 |
|---|---|
| Cosine metric | 0.7907 |
| Dice metric | 0.7886 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132503
Similarity: 0.6327
Similarity to MM132503
| Tanimoto metric | 0.6327 |
|---|---|
| Cosine metric | 0.7954 |
| Dice metric | 0.775 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+121 more
