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DocumentationIdentifier: MM253144
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253144 |
| SMILES |
N#CC=C(F)C#CC(=O)O
|
| InChIKey |
COVKBFKWWBKVBP-UHFFFAOYSA-N
|
| MW [Da] |
139.09
Automatically obtained from RDkit software. |
| LogP |
0.45
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: 0.8136
Similarity to MM146261
| Tanimoto metric | 0.8136 |
|---|---|
| Cosine metric | 0.902 |
| Dice metric | 0.8972 |
| MW: | 128.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159390
Similarity: 0.7288
Similarity to MM159390
| Tanimoto metric | 0.7288 |
|---|---|
| Cosine metric | 0.8537 |
| Dice metric | 0.8431 |
| MW: | 125.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253155
Similarity: 0.7218
Similarity to MM253155
| Tanimoto metric | 0.7218 |
|---|---|
| Cosine metric | 0.8388 |
| Dice metric | 0.8384 |
| MW: | 138.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+151 more
