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DocumentationIdentifier: MM376521
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376521 |
| SMILES |
C=CCC(C=O)C(C)OC
|
| InChIKey |
QADWWSXEYGURDM-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52181
Similarity: 0.7244
Similarity to MM52181
| Tanimoto metric | 0.7244 |
|---|---|
| Cosine metric | 0.8511 |
| Dice metric | 0.8402 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349332
Similarity: 0.6687
Similarity to MM349332
| Tanimoto metric | 0.6687 |
|---|---|
| Cosine metric | 0.8042 |
| Dice metric | 0.8014 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376509
Similarity: 0.6225
Similarity to MM376509
| Tanimoto metric | 0.6225 |
|---|---|
| Cosine metric | 0.7679 |
| Dice metric | 0.7673 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+223 more
