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DocumentationIdentifier: MM396087
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM396087 |
| SMILES |
NCC#CC(CF)C(F)F
|
| InChIKey |
ZTBSIYWHGBSYMQ-UHFFFAOYSA-N
|
| MW [Da] |
151.13
Automatically obtained from RDkit software. |
| LogP |
0.8
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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MM163469
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Similarity to MM163469
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 133.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235506
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| Tanimoto metric | 0.6863 |
|---|---|
| Cosine metric | 0.8142 |
| Dice metric | 0.814 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59452
Similarity: 0.619
Similarity to MM59452
| Tanimoto metric | 0.619 |
|---|---|
| Cosine metric | 0.7868 |
| Dice metric | 0.7647 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+585 more
