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DocumentationIdentifier: MM254002
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254002 |
| SMILES |
C=C(C)C(=O)C(C)C(C)C
|
| InChIKey |
ZHQIGDALIGSIPS-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160992
Similarity: 0.7966
Similarity to MM160992
| Tanimoto metric | 0.7966 |
|---|---|
| Cosine metric | 0.8925 |
| Dice metric | 0.8868 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351809
Similarity: 0.7313
Similarity to MM351809
| Tanimoto metric | 0.7313 |
|---|---|
| Cosine metric | 0.845 |
| Dice metric | 0.8448 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160432
Similarity: 0.678
Similarity to MM160432
| Tanimoto metric | 0.678 |
|---|---|
| Cosine metric | 0.8234 |
| Dice metric | 0.8081 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+366 more
