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DocumentationIdentifier: MM240105
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240105 |
| SMILES |
CC(F)(C=O)CCC=CF
|
| InChIKey |
GWROTYPBSQFRNI-UHFFFAOYSA-N
|
| MW [Da] |
148.15
Automatically obtained from RDkit software. |
| LogP |
2.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138409
Similarity: 0.8286
Similarity to MM138409
| Tanimoto metric | 0.8286 |
|---|---|
| Cosine metric | 0.9103 |
| Dice metric | 0.9063 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM240103
Similarity: 0.7479
Similarity to MM240103
| Tanimoto metric | 0.7479 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8558 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228140
Similarity: 0.6519
Similarity to MM228140
| Tanimoto metric | 0.6519 |
|---|---|
| Cosine metric | 0.7906 |
| Dice metric | 0.7892 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+293 more
