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DocumentationIdentifier: MM348778
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM348778 |
| SMILES |
C=C(CC)C(N)C(O)CC
|
| InChIKey |
NQGWPBCCYHQMPB-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
MM61370
Similarity: 0.8056
Similarity to MM61370
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8975 |
| Dice metric | 0.8923 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61137
Similarity: 0.7178
Similarity to MM61137
| Tanimoto metric | 0.7178 |
|---|---|
| Cosine metric | 0.8361 |
| Dice metric | 0.8357 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61203
Similarity: 0.6959
Similarity to MM61203
| Tanimoto metric | 0.6959 |
|---|---|
| Cosine metric | 0.8207 |
| Dice metric | 0.8207 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+355 more
