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DocumentationIdentifier: MM61137
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM61137 |
| SMILES |
C=CCC(O)C(N)C(=C)C
|
| InChIKey |
WPNXSCSOHWYRBO-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM61370
Similarity: 0.8529
Similarity to MM61370
| Tanimoto metric | 0.8529 |
|---|---|
| Cosine metric | 0.9235 |
| Dice metric | 0.9206 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268567
Similarity: 0.7852
Similarity to MM268567
| Tanimoto metric | 0.7852 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8797 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348778
Similarity: 0.7178
Similarity to MM348778
| Tanimoto metric | 0.7178 |
|---|---|
| Cosine metric | 0.8361 |
| Dice metric | 0.8357 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+263 more
