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DocumentationIdentifier: MM198715
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM198715 |
| SMILES |
N#CCNC(CF)CF
|
| InChIKey |
SEXMZXCFAITTQZ-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
0.41
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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MM112718
Similarity: 0.8689
Similarity to MM112718
| Tanimoto metric | 0.8689 |
|---|---|
| Cosine metric | 0.9321 |
| Dice metric | 0.9298 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326232
Similarity: 0.8026
Similarity to MM326232
| Tanimoto metric | 0.8026 |
|---|---|
| Cosine metric | 0.8959 |
| Dice metric | 0.8905 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM308210
Similarity: 0.7176
Similarity to MM308210
| Tanimoto metric | 0.7176 |
|---|---|
| Cosine metric | 0.8471 |
| Dice metric | 0.8356 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+293 more
