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DocumentationIdentifier: MM451695
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM451695 |
| SMILES |
C=CCCCC=COC=O
|
| InChIKey |
WVGUKYVKIKZLML-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
2.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126647
Similarity: 0.7895
Similarity to MM126647
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM451697
Similarity: 0.7794
Similarity to MM451697
| Tanimoto metric | 0.7794 |
|---|---|
| Cosine metric | 0.8775 |
| Dice metric | 0.876 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM451319
Similarity: 0.7571
Similarity to MM451319
| Tanimoto metric | 0.7571 |
|---|---|
| Cosine metric | 0.8641 |
| Dice metric | 0.8618 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+269 more
