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DocumentationIdentifier: MM242637
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242637 |
| SMILES |
CC#CC(O)C(C)(F)CC
|
| InChIKey |
CXMBDOQGXPGHAI-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
MM15336
Similarity: 0.7838
Similarity to MM15336
| Tanimoto metric | 0.7838 |
|---|---|
| Cosine metric | 0.8853 |
| Dice metric | 0.8788 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319776
Similarity: 0.7296
Similarity to MM319776
| Tanimoto metric | 0.7296 |
|---|---|
| Cosine metric | 0.8461 |
| Dice metric | 0.8436 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132226
Similarity: 0.6959
Similarity to MM132226
| Tanimoto metric | 0.6959 |
|---|---|
| Cosine metric | 0.8342 |
| Dice metric | 0.8207 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+331 more
