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DocumentationIdentifier: MM68607
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68607 |
| SMILES |
C=CCC(O)(CN)CC=C
|
| InChIKey |
WZMOMSZBBJYAOE-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
MM68756
Similarity: 0.9375
Similarity to MM68756
| Tanimoto metric | 0.9375 |
|---|---|
| Cosine metric | 0.9682 |
| Dice metric | 0.9677 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243012
Similarity: 0.7258
Similarity to MM243012
| Tanimoto metric | 0.7258 |
|---|---|
| Cosine metric | 0.8456 |
| Dice metric | 0.8411 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68757
Similarity: 0.7258
Similarity to MM68757
| Tanimoto metric | 0.7258 |
|---|---|
| Cosine metric | 0.8456 |
| Dice metric | 0.8411 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+536 more
