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DocumentationIdentifier: MM239820
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239820 |
| SMILES |
C#CCCCC(C)(F)C=O
|
| InChIKey |
SRXZOIUVTZSNQJ-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138343
Similarity: 0.8081
Similarity to MM138343
| Tanimoto metric | 0.8081 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8939 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM239611
Similarity: 0.7477
Similarity to MM239611
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8556 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166195
Similarity: 0.6869
Similarity to MM166195
| Tanimoto metric | 0.6869 |
|---|---|
| Cosine metric | 0.8288 |
| Dice metric | 0.8144 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+280 more
