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DocumentationIdentifier: MM170601
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM170601 |
| SMILES |
C#CCC#CC(F)C#C
|
| InChIKey |
FHXWPAMGMVHXET-UHFFFAOYSA-N
|
| MW [Da] |
120.13
Automatically obtained from RDkit software. |
| LogP |
0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114551
Similarity: 0.902
Similarity to MM114551
| Tanimoto metric | 0.902 |
|---|---|
| Cosine metric | 0.9497 |
| Dice metric | 0.9485 |
| MW: | 110.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM283292
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| Tanimoto metric | 0.8947 |
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| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM368285
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Similarity to MM368285
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+315 more
