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DocumentationIdentifier: MM308462
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM308462 |
| SMILES |
COCCC(F)(C#N)CO
|
| InChIKey |
SSFRQSSONUXHDN-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139355
Similarity: 0.8092
Similarity to MM139355
| Tanimoto metric | 0.8092 |
|---|---|
| Cosine metric | 0.8995 |
| Dice metric | 0.8945 |
| MW: | 133.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138362
Similarity: 0.687
Similarity to MM138362
| Tanimoto metric | 0.687 |
|---|---|
| Cosine metric | 0.8289 |
| Dice metric | 0.8145 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319864
Similarity: 0.6503
Similarity to MM319864
| Tanimoto metric | 0.6503 |
|---|---|
| Cosine metric | 0.7884 |
| Dice metric | 0.7881 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+187 more
