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DocumentationIdentifier: MM239624
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239624 |
| SMILES |
COCCCC(F)(F)C#N
|
| InChIKey |
PLBKLOWBHCDVHJ-UHFFFAOYSA-N
|
| MW [Da] |
149.14
Automatically obtained from RDkit software. |
| LogP |
1.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138350
Similarity: 0.8317
Similarity to MM138350
| Tanimoto metric | 0.8317 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9081 |
| MW: | 135.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM226378
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Similarity to MM226378
| Tanimoto metric | 0.6131 |
|---|---|
| Cosine metric | 0.763 |
| Dice metric | 0.7602 |
| MW: | 153.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM228153
Similarity: 0.6071
Similarity to MM228153
| Tanimoto metric | 0.6071 |
|---|---|
| Cosine metric | 0.7595 |
| Dice metric | 0.7556 |
| MW: | 149.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+215 more
