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DocumentationIdentifier: MM378226
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378226 |
| SMILES |
C=CC(CC=O)C(=C)CF
|
| InChIKey |
GGIVMTORCGBYSU-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
1.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172501
Similarity: 0.7607
Similarity to MM172501
| Tanimoto metric | 0.7607 |
|---|---|
| Cosine metric | 0.8722 |
| Dice metric | 0.8641 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350474
Similarity: 0.7292
Similarity to MM350474
| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8449 |
| Dice metric | 0.8434 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179999
Similarity: 0.6496
Similarity to MM179999
| Tanimoto metric | 0.6496 |
|---|---|
| Cosine metric | 0.806 |
| Dice metric | 0.7876 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+129 more
