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DocumentationIdentifier: MM197067
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197067 |
| SMILES |
C#CC(OC)C(F)C#N
|
| InChIKey |
NWNXFMFUAVHXHB-UHFFFAOYSA-N
|
| MW [Da] |
127.12
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM239012
Similarity: 0.7337
Similarity to MM239012
| Tanimoto metric | 0.7337 |
|---|---|
| Cosine metric | 0.8566 |
| Dice metric | 0.8464 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111671
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Similarity to MM111671
| Tanimoto metric | 0.6935 |
|---|---|
| Cosine metric | 0.8328 |
| Dice metric | 0.819 |
| MW: | 113.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320122
Similarity: 0.6851
Similarity to MM320122
| Tanimoto metric | 0.6851 |
|---|---|
| Cosine metric | 0.8277 |
| Dice metric | 0.8131 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+308 more
