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DocumentationIdentifier: MM384920
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM384920 |
| SMILES |
CCC(CC=O)=C(C)CF
|
| InChIKey |
BWEXZIROEZJLLX-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM51151
Similarity: 0.8387
Similarity to MM51151
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76226
Similarity: 0.7064
Similarity to MM76226
| Tanimoto metric | 0.7064 |
|---|---|
| Cosine metric | 0.828 |
| Dice metric | 0.828 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM384932
Similarity: 0.6964
Similarity to MM384932
| Tanimoto metric | 0.6964 |
|---|---|
| Cosine metric | 0.8212 |
| Dice metric | 0.8211 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+710 more
