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DocumentationIdentifier: MM159352
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM159352 |
| SMILES |
C=CC#CC(F)=CCO
|
| InChIKey |
DFQOVXXBUHIZQE-UHFFFAOYSA-N
|
| MW [Da] |
126.13
Automatically obtained from RDkit software. |
| LogP |
1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM34331
Similarity: 0.8571
Similarity to MM34331
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159327
Similarity: 0.7816
Similarity to MM159327
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.8774 |
| MW: | 132.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM159326
Similarity: 0.7614
Similarity to MM159326
| Tanimoto metric | 0.7614 |
|---|---|
| Cosine metric | 0.8645 |
| Dice metric | 0.8645 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+391 more
