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DocumentationIdentifier: MM294644
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM294644 |
| SMILES |
CC#CC#CC(F)C(C)O
|
| InChIKey |
LQFLWQMIOPCHKK-UHFFFAOYSA-N
|
| MW [Da] |
140.16
Automatically obtained from RDkit software. |
| LogP |
0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163544
Similarity: 0.8868
Similarity to MM163544
| Tanimoto metric | 0.8868 |
|---|---|
| Cosine metric | 0.9417 |
| Dice metric | 0.94 |
| MW: | 126.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86382
Similarity: 0.7143
Similarity to MM86382
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.8333 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357751
Similarity: 0.7068
Similarity to MM357751
| Tanimoto metric | 0.7068 |
|---|---|
| Cosine metric | 0.83 |
| Dice metric | 0.8282 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+311 more
