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DocumentationIdentifier: MM138364
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138364 |
| SMILES |
COCCC(F)(F)C#N
|
| InChIKey |
DBXWPQPACJUEAU-UHFFFAOYSA-N
|
| MW [Da] |
135.11
Automatically obtained from RDkit software. |
| LogP |
1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM239745
Similarity: 0.8208
Similarity to MM239745
| Tanimoto metric | 0.8208 |
|---|---|
| Cosine metric | 0.906 |
| Dice metric | 0.9016 |
| MW: | 149.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102723
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Similarity to MM102723
| Tanimoto metric | 0.6552 |
|---|---|
| Cosine metric | 0.8094 |
| Dice metric | 0.7917 |
| MW: | 124.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM226393
Similarity: 0.6541
Similarity to MM226393
| Tanimoto metric | 0.6541 |
|---|---|
| Cosine metric | 0.8088 |
| Dice metric | 0.7909 |
| MW: | 149.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+255 more
