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DocumentationIdentifier: MM386381
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386381 |
| SMILES |
C=CCC(CC)CCC=O
|
| InChIKey |
GAVTXJGLKJOUIR-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM155923
Similarity: 0.9032
Similarity to MM155923
| Tanimoto metric | 0.9032 |
|---|---|
| Cosine metric | 0.9504 |
| Dice metric | 0.9492 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387257
Similarity: 0.7662
Similarity to MM387257
| Tanimoto metric | 0.7662 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.8676 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155925
Similarity: 0.7463
Similarity to MM155925
| Tanimoto metric | 0.7463 |
|---|---|
| Cosine metric | 0.8562 |
| Dice metric | 0.8547 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+452 more
