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DocumentationIdentifier: MM60853
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60853 |
| SMILES |
C=CC(C)(O)C=CCN
|
| InChIKey |
PZWWCGIRAPJZBV-UHFFFAOYSA-N
|
| MW [Da] |
127.19
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM241103
Similarity: 0.8144
Similarity to MM241103
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.8977 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60988
Similarity: 0.7215
Similarity to MM60988
| Tanimoto metric | 0.7215 |
|---|---|
| Cosine metric | 0.8494 |
| Dice metric | 0.8382 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60836
Similarity: 0.7182
Similarity to MM60836
| Tanimoto metric | 0.7182 |
|---|---|
| Cosine metric | 0.8475 |
| Dice metric | 0.836 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+421 more
