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DocumentationIdentifier: MM389133
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389133 |
| SMILES |
CC=CC(C=O)CC=CF
|
| InChIKey |
RWUIRVLPODVMJL-UHFFFAOYSA-N
|
| MW [Da] |
142.17
Automatically obtained from RDkit software. |
| LogP |
2.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM378105
Similarity: 0.8218
Similarity to MM378105
| Tanimoto metric | 0.8218 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.9022 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178254
Similarity: 0.7826
Similarity to MM178254
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199609
Similarity: 0.7609
Similarity to MM199609
| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8723 |
| Dice metric | 0.8642 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+475 more
