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DocumentationIdentifier: MM350855
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350855 |
| SMILES |
C=CC(=O)C(C)C(=O)C=C
|
| InChIKey |
ASAJMRMXRXGKBD-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM234912
Similarity: 0.735
Similarity to MM234912
| Tanimoto metric | 0.735 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.8473 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM299465
Similarity: 0.688
Similarity to MM299465
| Tanimoto metric | 0.688 |
|---|---|
| Cosine metric | 0.8219 |
| Dice metric | 0.8152 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350491
Similarity: 0.6232
Similarity to MM350491
| Tanimoto metric | 0.6232 |
|---|---|
| Cosine metric | 0.7804 |
| Dice metric | 0.7679 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+57 more
