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DocumentationIdentifier: MM242082
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242082 |
| SMILES |
C#CC(C)(C)C(F)CCF
|
| InChIKey |
HDICQMNJZJFPEO-UHFFFAOYSA-N
|
| MW [Da] |
146.18
Automatically obtained from RDkit software. |
| LogP |
2.34
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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MM172252
Similarity: 0.7745
Similarity to MM172252
| Tanimoto metric | 0.7745 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.8729 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225525
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| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8304 |
| Dice metric | 0.829 |
| MW: | 142.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM406944
Similarity: 0.6371
Similarity to MM406944
| Tanimoto metric | 0.6371 |
|---|---|
| Cosine metric | 0.7783 |
| Dice metric | 0.7783 |
| MW: | 150.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+356 more
