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DocumentationIdentifier: MM387706
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387706 |
| SMILES |
C#CC(CC=O)CCCF
|
| InChIKey |
RKPCXSFEMXBVIA-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199056
Similarity: 0.6941
Similarity to MM199056
| Tanimoto metric | 0.6941 |
|---|---|
| Cosine metric | 0.8331 |
| Dice metric | 0.8194 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM329951
Similarity: 0.693
Similarity to MM329951
| Tanimoto metric | 0.693 |
|---|---|
| Cosine metric | 0.8245 |
| Dice metric | 0.8187 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387768
Similarity: 0.6774
Similarity to MM387768
| Tanimoto metric | 0.6774 |
|---|---|
| Cosine metric | 0.811 |
| Dice metric | 0.8077 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+319 more
