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DocumentationIdentifier: MM349735
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349735 |
| SMILES |
C=CCCC(C)C(=C)C=C
|
| InChIKey |
ZMDNBUUGKZYSJX-UHFFFAOYSA-N
|
| MW [Da] |
136.24
Automatically obtained from RDkit software. |
| LogP |
3.33
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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MM172682
Similarity: 0.8861
Similarity to MM172682
| Tanimoto metric | 0.8861 |
|---|---|
| Cosine metric | 0.9413 |
| Dice metric | 0.9396 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM349599
Similarity: 0.7955
Similarity to MM349599
| Tanimoto metric | 0.7955 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8861 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM262241
Similarity: 0.7738
Similarity to MM262241
| Tanimoto metric | 0.7738 |
|---|---|
| Cosine metric | 0.8741 |
| Dice metric | 0.8725 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+514 more
