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DocumentationIdentifier: MM357508
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357508 |
| SMILES |
CCC#CC(F)C(C)CO
|
| InChIKey |
SXDPBFOPPLRBKY-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
1.37
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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MM174568
Similarity: 0.8922
Similarity to MM174568
| Tanimoto metric | 0.8922 |
|---|---|
| Cosine metric | 0.9445 |
| Dice metric | 0.943 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357662
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Similarity to MM357662
| Tanimoto metric | 0.7398 |
|---|---|
| Cosine metric | 0.8514 |
| Dice metric | 0.8505 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM158307
Similarity: 0.6863
Similarity to MM158307
| Tanimoto metric | 0.6863 |
|---|---|
| Cosine metric | 0.8284 |
| Dice metric | 0.814 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+443 more
