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DocumentationIdentifier: MM377009
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377009 |
| SMILES |
C#CC(F)C(C=O)OC=C
|
| InChIKey |
FIQCRGMMBRUBCN-UHFFFAOYSA-N
|
| MW [Da] |
142.13
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53273
Similarity: 0.7908
Similarity to MM53273
| Tanimoto metric | 0.7908 |
|---|---|
| Cosine metric | 0.8893 |
| Dice metric | 0.8832 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52193
Similarity: 0.732
Similarity to MM52193
| Tanimoto metric | 0.732 |
|---|---|
| Cosine metric | 0.8556 |
| Dice metric | 0.8453 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376963
Similarity: 0.6893
Similarity to MM376963
| Tanimoto metric | 0.6893 |
|---|---|
| Cosine metric | 0.8163 |
| Dice metric | 0.8161 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+59 more
