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DocumentationIdentifier: MM242633
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242633 |
| SMILES |
CC#CC(F)C(C)(O)CC
|
| InChIKey |
RBKOTYIGVNKKAA-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137589
Similarity: 0.7785
Similarity to MM137589
| Tanimoto metric | 0.7785 |
|---|---|
| Cosine metric | 0.8823 |
| Dice metric | 0.8755 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132224
Similarity: 0.698
Similarity to MM132224
| Tanimoto metric | 0.698 |
|---|---|
| Cosine metric | 0.8355 |
| Dice metric | 0.8221 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231670
Similarity: 0.6813
Similarity to MM231670
| Tanimoto metric | 0.6813 |
|---|---|
| Cosine metric | 0.8152 |
| Dice metric | 0.8104 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+338 more
