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DocumentationIdentifier: MM253155
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253155 |
| SMILES |
C#CC=C(F)C#CC(=O)O
|
| InChIKey |
JVUYBCHLAJIVQL-UHFFFAOYSA-N
|
| MW [Da] |
138.1
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146261
Similarity: 0.8649
Similarity to MM146261
| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9275 |
| MW: | 128.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM16219
Similarity: 0.7559
Similarity to MM16219
| Tanimoto metric | 0.7559 |
|---|---|
| Cosine metric | 0.861 |
| Dice metric | 0.861 |
| MW: | 144.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253144
Similarity: 0.7218
Similarity to MM253144
| Tanimoto metric | 0.7218 |
|---|---|
| Cosine metric | 0.8388 |
| Dice metric | 0.8384 |
| MW: | 139.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+196 more
