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DocumentationIdentifier: MM363852
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM363852 |
| SMILES |
C=CC(O)CCCNC=N
|
| InChIKey |
IBPBBSUTQGYMFT-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM90551
Similarity: 0.8161
Similarity to MM90551
| Tanimoto metric | 0.8161 |
|---|---|
| Cosine metric | 0.9034 |
| Dice metric | 0.8987 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363564
Similarity: 0.732
Similarity to MM363564
| Tanimoto metric | 0.732 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8452 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM257673
Similarity: 0.7245
Similarity to MM257673
| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.8406 |
| Dice metric | 0.8402 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+568 more
