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DocumentationIdentifier: MM352353
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM352353 |
| SMILES |
C=CC(=O)C(=C)CCC=O
|
| InChIKey |
YURUNSKNUZQJSS-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
MM173800
Similarity: 0.8416
Similarity to MM173800
| Tanimoto metric | 0.8416 |
|---|---|
| Cosine metric | 0.9174 |
| Dice metric | 0.914 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352235
Similarity: 0.8091
Similarity to MM352235
| Tanimoto metric | 0.8091 |
|---|---|
| Cosine metric | 0.8946 |
| Dice metric | 0.8945 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352351
Similarity: 0.7589
Similarity to MM352351
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.8632 |
| Dice metric | 0.8629 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
