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DocumentationIdentifier: MM363674
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363674 |
| SMILES |
COCCOCC(C)C=O
|
| InChIKey |
HETANMHIWALXMC-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48504
Similarity: 0.9063
Similarity to MM48504
| Tanimoto metric | 0.9063 |
|---|---|
| Cosine metric | 0.952 |
| Dice metric | 0.9508 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60613
Similarity: 0.7532
Similarity to MM60613
| Tanimoto metric | 0.7532 |
|---|---|
| Cosine metric | 0.8604 |
| Dice metric | 0.8593 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402987
Similarity: 0.7436
Similarity to MM402987
| Tanimoto metric | 0.7436 |
|---|---|
| Cosine metric | 0.8544 |
| Dice metric | 0.8529 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+483 more
