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DocumentationIdentifier: MM305705
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305705 |
| SMILES |
CNCC=CC(O)C(C)N
|
| InChIKey |
DBNIIKZYYCSSJP-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM255340
Similarity: 0.7521
Similarity to MM255340
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8586 |
| Dice metric | 0.8585 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM355172
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| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8504 |
| Dice metric | 0.8482 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM355093
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Similarity to MM355093
| Tanimoto metric | 0.7054 |
|---|---|
| Cosine metric | 0.8285 |
| Dice metric | 0.8273 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+531 more
