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DocumentationIdentifier: MM58443
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58443 |
| SMILES |
CCC=CC(N)CO
|
| InChIKey |
KYDDTYYZISJPDD-UHFFFAOYSA-N
|
| MW [Da] |
115.18
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169379
Similarity: 0.9153
Similarity to MM169379
| Tanimoto metric | 0.9153 |
|---|---|
| Cosine metric | 0.9567 |
| Dice metric | 0.9558 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58452
Similarity: 0.8182
Similarity to MM58452
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145389
Similarity: 0.8182
Similarity to MM145389
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+629 more
