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DocumentationIdentifier: MM231718
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231718 |
| SMILES |
C=CC#CC(F)C(C)(C)F
|
| InChIKey |
JCFLLUCMVZJLET-UHFFFAOYSA-N
|
| MW [Da] |
144.16
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132227
Similarity: 0.7931
Similarity to MM132227
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM163524
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| Tanimoto metric | 0.7414 |
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| Cosine metric | 0.861 |
| Dice metric | 0.8515 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM358085
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Similarity to MM358085
| Tanimoto metric | 0.6905 |
|---|---|
| Cosine metric | 0.8202 |
| Dice metric | 0.8169 |
| MW: | 140.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+423 more
