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DocumentationIdentifier: MM287647
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM287647 |
| SMILES |
C=CC(=O)N(C)CCO
|
| InChIKey |
VYHUMZYFJVMWRC-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM287691
Similarity: 0.8246
Similarity to MM287691
| Tanimoto metric | 0.8246 |
|---|---|
| Cosine metric | 0.9081 |
| Dice metric | 0.9038 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111864
Similarity: 0.7021
Similarity to MM111864
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8379 |
| Dice metric | 0.825 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM349359
Similarity: 0.6861
Similarity to MM349359
| Tanimoto metric | 0.6861 |
|---|---|
| Cosine metric | 0.8283 |
| Dice metric | 0.8139 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+437 more
