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DocumentationIdentifier: MM241593
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM241593 |
| SMILES |
C#CCC#CC(C)(F)C=O
|
| InChIKey |
BSMYNCYUJYBSQJ-UHFFFAOYSA-N
|
| MW [Da] |
138.14
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139081
Similarity: 0.8586
Similarity to MM139081
| Tanimoto metric | 0.8586 |
|---|---|
| Cosine metric | 0.9266 |
| Dice metric | 0.9239 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241574
Similarity: 0.7944
Similarity to MM241574
| Tanimoto metric | 0.7944 |
|---|---|
| Cosine metric | 0.8858 |
| Dice metric | 0.8854 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228550
Similarity: 0.7944
Similarity to MM228550
| Tanimoto metric | 0.7944 |
|---|---|
| Cosine metric | 0.8858 |
| Dice metric | 0.8854 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+397 more
