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DocumentationIdentifier: MM320983
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320983 |
| SMILES |
CCC(N)C=CC(O)CC
|
| InChIKey |
JPRLOTMGOWMCOI-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
MM145390
Similarity: 0.8229
Similarity to MM145390
| Tanimoto metric | 0.8229 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9029 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145400
Similarity: 0.8229
Similarity to MM145400
| Tanimoto metric | 0.8229 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9029 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM252035
Similarity: 0.757
Similarity to MM252035
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8617 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+659 more
