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DocumentationIdentifier: MM156413
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156413 |
| SMILES |
C=COC(=O)CCCC
|
| InChIKey |
BLZSRIYYOIZLJL-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.86
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM330565
Similarity: 0.907
Similarity to MM330565
| Tanimoto metric | 0.907 |
|---|---|
| Cosine metric | 0.9524 |
| Dice metric | 0.9512 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292125
Similarity: 0.8864
Similarity to MM292125
| Tanimoto metric | 0.8864 |
|---|---|
| Cosine metric | 0.9415 |
| Dice metric | 0.9398 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292335
Similarity: 0.8571
Similarity to MM292335
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+593 more
