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DocumentationIdentifier: MM387257
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387257 |
| SMILES |
C=CCC(C=C)CCC=O
|
| InChIKey |
DCABRXOUQCZTFC-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM198913
Similarity: 0.8108
Similarity to MM198913
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386381
Similarity: 0.7662
Similarity to MM386381
| Tanimoto metric | 0.7662 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8676 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386867
Similarity: 0.7595
Similarity to MM386867
| Tanimoto metric | 0.7595 |
|---|---|
| Cosine metric | 0.8651 |
| Dice metric | 0.8633 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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