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DocumentationIdentifier: MM372052
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM372052 |
| SMILES |
CC#CC#CC=C(F)CF
|
| InChIKey |
WNNLEFRRBPFBPP-UHFFFAOYSA-N
|
| MW [Da] |
140.13
Automatically obtained from RDkit software. |
| LogP |
1.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171663
Similarity: 0.9
Similarity to MM171663
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155128
Similarity: 0.7625
Similarity to MM155128
| Tanimoto metric | 0.7625 |
|---|---|
| Cosine metric | 0.8732 |
| Dice metric | 0.8652 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290681
Similarity: 0.7439
Similarity to MM290681
| Tanimoto metric | 0.7439 |
|---|---|
| Cosine metric | 0.8592 |
| Dice metric | 0.8531 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+533 more
