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DocumentationIdentifier: MM246114
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246114 |
| SMILES |
CC(F)C(=O)CC(F)C#N
|
| InChIKey |
MFBZOIILDMIMBP-UHFFFAOYSA-N
|
| MW [Da] |
147.12
Automatically obtained from RDkit software. |
| LogP |
1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15636
Similarity: 0.7442
Similarity to MM15636
| Tanimoto metric | 0.7442 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8533 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142230
Similarity: 0.7438
Similarity to MM142230
| Tanimoto metric | 0.7438 |
|---|---|
| Cosine metric | 0.8624 |
| Dice metric | 0.8531 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262669
Similarity: 0.687
Similarity to MM262669
| Tanimoto metric | 0.687 |
|---|---|
| Cosine metric | 0.8182 |
| Dice metric | 0.8145 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+167 more
