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DocumentationIdentifier: MM333260
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM333260 |
| SMILES |
C#CCC=C(CC)CO
|
| InChIKey |
FQFXGOBZDNUFQV-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
1.34
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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MM329038
Similarity: 0.8409
Similarity to MM329038
| Tanimoto metric | 0.8409 |
|---|---|
| Cosine metric | 0.917 |
| Dice metric | 0.9136 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM326575
Similarity: 0.7432
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| Tanimoto metric | 0.7432 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8527 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM385923
Similarity: 0.7327
Similarity to MM385923
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8457 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+795 more
