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DocumentationIdentifier: MM78068
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78068 |
| SMILES |
C=CCC(C=O)(C=O)OC
|
| InChIKey |
HLASDVJQOQZXDK-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53085
Similarity: 0.7328
Similarity to MM53085
| Tanimoto metric | 0.7328 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8458 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42371
Similarity: 0.7241
Similarity to MM42371
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.84 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77530
Similarity: 0.6043
Similarity to MM77530
| Tanimoto metric | 0.6043 |
|---|---|
| Cosine metric | 0.754 |
| Dice metric | 0.7534 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+161 more
