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DocumentationIdentifier: MM224313
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224313 |
| SMILES |
C#CC(C#C)CC(C)(C)F
|
| InChIKey |
QFZDBJSVOCPURE-UHFFFAOYSA-N
|
| MW [Da] |
138.19
Automatically obtained from RDkit software. |
| LogP |
2.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130106
Similarity: 0.8889
Similarity to MM130106
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149865
Similarity: 0.8025
Similarity to MM149865
| Tanimoto metric | 0.8025 |
|---|---|
| Cosine metric | 0.8958 |
| Dice metric | 0.8904 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328346
Similarity: 0.7312
Similarity to MM328346
| Tanimoto metric | 0.7312 |
|---|---|
| Cosine metric | 0.8447 |
| Dice metric | 0.8447 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+290 more
