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DocumentationIdentifier: MM292265
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292265 |
| SMILES |
C=COCCC(=C)CC=O
|
| InChIKey |
LYWDCQFBYRPHLV-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156381
Similarity: 0.8488
Similarity to MM156381
| Tanimoto metric | 0.8488 |
|---|---|
| Cosine metric | 0.9213 |
| Dice metric | 0.9182 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292057
Similarity: 0.7813
Similarity to MM292057
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.8772 |
| Dice metric | 0.8772 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166611
Similarity: 0.7558
Similarity to MM166611
| Tanimoto metric | 0.7558 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.8609 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+412 more
