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DocumentationIdentifier: MM90498
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90498 |
| SMILES |
CCN(C)C(=O)C#CC=O
|
| InChIKey |
MDSHZEVUFPABLX-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
-0.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM413662
Similarity: 0.8018
Similarity to MM413662
| Tanimoto metric | 0.8018 |
|---|---|
| Cosine metric | 0.8904 |
| Dice metric | 0.89 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358926
Similarity: 0.7417
Similarity to MM358926
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.8518 |
| Dice metric | 0.8517 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48366
Similarity: 0.7379
Similarity to MM48366
| Tanimoto metric | 0.7379 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8492 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+217 more
