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DocumentationIdentifier: MM429865
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM429865 |
| SMILES |
CC=C(C=O)C=CCC=O
|
| InChIKey |
NYCGJYHKALZLHR-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
MM201039
Similarity: 0.8974
Similarity to MM201039
| Tanimoto metric | 0.8974 |
|---|---|
| Cosine metric | 0.9473 |
| Dice metric | 0.9459 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM344506
Similarity: 0.8043
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| Tanimoto metric | 0.8043 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8916 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM429852
Similarity: 0.7778
Similarity to MM429852
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.875 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+586 more
