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DocumentationIdentifier: MM293534
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293534 |
| SMILES |
C=C(CC=O)C(C)OC=O
|
| InChIKey |
PVKSGBCWHCWLFC-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172570
Similarity: 0.7656
Similarity to MM172570
| Tanimoto metric | 0.7656 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.8673 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46048
Similarity: 0.6328
Similarity to MM46048
| Tanimoto metric | 0.6328 |
|---|---|
| Cosine metric | 0.7955 |
| Dice metric | 0.7751 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84837
Similarity: 0.6282
Similarity to MM84837
| Tanimoto metric | 0.6282 |
|---|---|
| Cosine metric | 0.7717 |
| Dice metric | 0.7717 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+22 more
