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DocumentationIdentifier: MM380950
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM380950 |
| SMILES |
CC#CC(C#CC=O)=CF
|
| InChIKey |
ZMHHVYIJHUPVBZ-UHFFFAOYSA-N
|
| MW [Da] |
136.13
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201521
Similarity: 0.9286
Similarity to MM201521
| Tanimoto metric | 0.9286 |
|---|---|
| Cosine metric | 0.9636 |
| Dice metric | 0.963 |
| MW: | 122.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM397895
Similarity: 0.767
Similarity to MM397895
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.8707 |
| Dice metric | 0.8681 |
| MW: | 140.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114647
Similarity: 0.7381
Similarity to MM114647
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8493 |
| MW: | 112.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+324 more
