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DocumentationIdentifier: MM377191
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377191 |
| SMILES |
C#CC(CCO)N(C)C=O
|
| InChIKey |
MGICMPKQSUIPKB-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM282486
Similarity: 0.6694
Similarity to MM282486
| Tanimoto metric | 0.6694 |
|---|---|
| Cosine metric | 0.8181 |
| Dice metric | 0.8019 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377245
Similarity: 0.6327
Similarity to MM377245
| Tanimoto metric | 0.6327 |
|---|---|
| Cosine metric | 0.7754 |
| Dice metric | 0.775 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23748
Similarity: 0.6144
Similarity to MM23748
| Tanimoto metric | 0.6144 |
|---|---|
| Cosine metric | 0.7611 |
| Dice metric | 0.7611 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+92 more
