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DocumentationIdentifier: MM411528
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM411528 |
| SMILES |
C=CCC(=C)C(C)(C)O
|
| InChIKey |
WWYXJFCCTURDAT-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
1.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM409900
Similarity: 0.7609
Similarity to MM409900
| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8723 |
| Dice metric | 0.8642 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400824
Similarity: 0.736
Similarity to MM400824
| Tanimoto metric | 0.736 |
|---|---|
| Cosine metric | 0.8579 |
| Dice metric | 0.8479 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM434844
Similarity: 0.7132
Similarity to MM434844
| Tanimoto metric | 0.7132 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8326 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+611 more
