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DocumentationIdentifier: MM15336
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15336 |
| SMILES |
C#CC(O)C(C)(F)CC
|
| InChIKey |
JEJDOJHZQSWUBE-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM319776
Similarity: 0.9134
Similarity to MM319776
| Tanimoto metric | 0.9134 |
|---|---|
| Cosine metric | 0.9557 |
| Dice metric | 0.9547 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242637
Similarity: 0.7838
Similarity to MM242637
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8788 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132653
Similarity: 0.7462
Similarity to MM132653
| Tanimoto metric | 0.7462 |
|---|---|
| Cosine metric | 0.8548 |
| Dice metric | 0.8546 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+343 more
