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DocumentationIdentifier: MM294554
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294554 |
| SMILES |
CC=CC#CC(=O)C(C)F
|
| InChIKey |
WCVVLZQXDRJDAX-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
MM163695
Similarity: 0.8684
Similarity to MM163695
| Tanimoto metric | 0.8684 |
|---|---|
| Cosine metric | 0.9319 |
| Dice metric | 0.9296 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294556
Similarity: 0.7769
Similarity to MM294556
| Tanimoto metric | 0.7769 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8745 |
| MW: | 144.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM359196
Similarity: 0.7174
Similarity to MM359196
| Tanimoto metric | 0.7174 |
|---|---|
| Cosine metric | 0.836 |
| Dice metric | 0.8354 |
| MW: | 136.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+267 more
