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DocumentationIdentifier: MM284560
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284560 |
| SMILES |
CC=CC#CC(F)=CC=O
|
| InChIKey |
BDXGWFJCBUVONG-UHFFFAOYSA-N
|
| MW [Da] |
138.14
Automatically obtained from RDkit software. |
| LogP |
1.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159406
Similarity: 0.9277
Similarity to MM159406
| Tanimoto metric | 0.9277 |
|---|---|
| Cosine metric | 0.9632 |
| Dice metric | 0.9625 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108016
Similarity: 0.7952
Similarity to MM108016
| Tanimoto metric | 0.7952 |
|---|---|
| Cosine metric | 0.8917 |
| Dice metric | 0.8859 |
| MW: | 112.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154746
Similarity: 0.7412
Similarity to MM154746
| Tanimoto metric | 0.7412 |
|---|---|
| Cosine metric | 0.8577 |
| Dice metric | 0.8514 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+191 more
