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DocumentationIdentifier: MM54463
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54463 |
| SMILES |
C#CC(=O)OCCN(C)C
|
| InChIKey |
GMJAANFSYHYSHH-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM64720
Similarity: 0.8791
Similarity to MM64720
| Tanimoto metric | 0.8791 |
|---|---|
| Cosine metric | 0.9376 |
| Dice metric | 0.9357 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66277
Similarity: 0.7921
Similarity to MM66277
| Tanimoto metric | 0.7921 |
|---|---|
| Cosine metric | 0.884 |
| Dice metric | 0.884 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54437
Similarity: 0.7363
Similarity to MM54437
| Tanimoto metric | 0.7363 |
|---|---|
| Cosine metric | 0.8581 |
| Dice metric | 0.8481 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+353 more
