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DocumentationIdentifier: MM305491
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305491 |
| SMILES |
CC(=O)N(CC#N)CC=O
|
| InChIKey |
XEZSMGYJCWWVFK-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52263
Similarity: 0.7475
Similarity to MM52263
| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8555 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51316
Similarity: 0.7374
Similarity to MM51316
| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8488 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305493
Similarity: 0.7184
Similarity to MM305493
| Tanimoto metric | 0.7184 |
|---|---|
| Cosine metric | 0.8421 |
| Dice metric | 0.8362 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+180 more
