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DocumentationIdentifier: MM282703
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282703 |
| SMILES |
C=CCC#CC(F)CC=O
|
| InChIKey |
CTEUDTMLCNLZTF-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
1.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170491
Similarity: 0.7528
Similarity to MM170491
| Tanimoto metric | 0.7528 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.859 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282706
Similarity: 0.7019
Similarity to MM282706
| Tanimoto metric | 0.7019 |
|---|---|
| Cosine metric | 0.8249 |
| Dice metric | 0.8249 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM252755
Similarity: 0.6991
Similarity to MM252755
| Tanimoto metric | 0.6991 |
|---|---|
| Cosine metric | 0.8251 |
| Dice metric | 0.8229 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+334 more
