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DocumentationIdentifier: MM386292
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386292 |
| SMILES |
C=CCC=C(C=C)CC=O
|
| InChIKey |
NDOKAUGKOIHXJC-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM386296
Similarity: 0.7813
Similarity to MM386296
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8776 |
| Dice metric | 0.8772 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274419
Similarity: 0.7212
Similarity to MM274419
| Tanimoto metric | 0.7212 |
|---|---|
| Cosine metric | 0.8381 |
| Dice metric | 0.838 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386298
Similarity: 0.7037
Similarity to MM386298
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8269 |
| Dice metric | 0.8261 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+364 more
