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DocumentationIdentifier: MM348327
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348327 |
| SMILES |
CC(C#N)C(C)C(O)CF
|
| InChIKey |
GLJZEEAXKWBMGH-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42749
Similarity: 0.7069
Similarity to MM42749
| Tanimoto metric | 0.7069 |
|---|---|
| Cosine metric | 0.8408 |
| Dice metric | 0.8283 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376513
Similarity: 0.6414
Similarity to MM376513
| Tanimoto metric | 0.6414 |
|---|---|
| Cosine metric | 0.7818 |
| Dice metric | 0.7815 |
| MW: | 142.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM72536
Similarity: 0.6328
Similarity to MM72536
| Tanimoto metric | 0.6328 |
|---|---|
| Cosine metric | 0.7799 |
| Dice metric | 0.7751 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+240 more
