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DocumentationIdentifier: MM378924
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378924 |
| SMILES |
C#CC(NC=O)C(=C)CF
|
| InChIKey |
UHDSPLCOSCQXDC-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52323
Similarity: 0.7208
Similarity to MM52323
| Tanimoto metric | 0.7208 |
|---|---|
| Cosine metric | 0.849 |
| Dice metric | 0.8377 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50123
Similarity: 0.6948
Similarity to MM50123
| Tanimoto metric | 0.6948 |
|---|---|
| Cosine metric | 0.8335 |
| Dice metric | 0.8199 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379016
Similarity: 0.6087
Similarity to MM379016
| Tanimoto metric | 0.6087 |
|---|---|
| Cosine metric | 0.7574 |
| Dice metric | 0.7568 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+51 more
