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DocumentationIdentifier: MM252035
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM252035 |
| SMILES |
CCCC(O)C=CC(C)N
|
| InChIKey |
WZQBANDYDYMYJA-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145400
Similarity: 0.8587
Similarity to MM145400
| Tanimoto metric | 0.8587 |
|---|---|
| Cosine metric | 0.9267 |
| Dice metric | 0.924 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157638
Similarity: 0.7935
Similarity to MM157638
| Tanimoto metric | 0.7935 |
|---|---|
| Cosine metric | 0.8908 |
| Dice metric | 0.8848 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM252036
Similarity: 0.7714
Similarity to MM252036
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.871 |
| Dice metric | 0.871 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+755 more
