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DocumentationIdentifier: MM358674
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM358674 |
| SMILES |
C=C(C#CC=O)CCCF
|
| InChIKey |
AJRUSXRNPWGGKG-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
MM157536
Similarity: 0.7895
Similarity to MM157536
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM158506
Similarity: 0.7895
Similarity to MM158506
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM358854
Similarity: 0.7238
Similarity to MM358854
| Tanimoto metric | 0.7238 |
|---|---|
| Cosine metric | 0.8408 |
| Dice metric | 0.8398 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+517 more
