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DocumentationIdentifier: MM173902
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173902 |
| SMILES |
C#CC(=C)C(=C)OCC
|
| InChIKey |
WWMSCYLKWAKPON-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM352510
Similarity: 0.8974
Similarity to MM352510
| Tanimoto metric | 0.8974 |
|---|---|
| Cosine metric | 0.9473 |
| Dice metric | 0.9459 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352551
Similarity: 0.8824
Similarity to MM352551
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352562
Similarity: 0.8607
Similarity to MM352562
| Tanimoto metric | 0.8607 |
|---|---|
| Cosine metric | 0.9277 |
| Dice metric | 0.9251 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+173 more
