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DocumentationIdentifier: MM254255
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM254255 |
| SMILES |
C=C(C)C(=O)C(=C)C(C)=O
|
| InChIKey |
JCBNZFMBFXGLIH-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM352705
Similarity: 0.8394
Similarity to MM352705
| Tanimoto metric | 0.8394 |
|---|---|
| Cosine metric | 0.9134 |
| Dice metric | 0.9127 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM161327
Similarity: 0.6947
Similarity to MM161327
| Tanimoto metric | 0.6947 |
|---|---|
| Cosine metric | 0.8335 |
| Dice metric | 0.8198 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352827
Similarity: 0.6642
Similarity to MM352827
| Tanimoto metric | 0.6642 |
|---|---|
| Cosine metric | 0.8073 |
| Dice metric | 0.7982 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+11 more
