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DocumentationIdentifier: MM390210
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM390210 |
| SMILES |
C=CCCC(=CC)CC=O
|
| InChIKey |
XZEYLYSBXQTVHL-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178518
Similarity: 0.814
Similarity to MM178518
| Tanimoto metric | 0.814 |
|---|---|
| Cosine metric | 0.9022 |
| Dice metric | 0.8974 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM278809
Similarity: 0.7391
Similarity to MM278809
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8524 |
| Dice metric | 0.85 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390212
Similarity: 0.7292
Similarity to MM390212
| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8439 |
| Dice metric | 0.8434 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+479 more
