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DocumentationIdentifier: MM376815
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376815 |
| SMILES |
CC(C=O)C(C#N)NC=O
|
| InChIKey |
IRBARHXUWWYABQ-UHFFFAOYSA-N
|
| MW [Da] |
140.14
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
MM178040
Similarity: 0.7008
Similarity to MM178040
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.8241 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM294678
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Similarity to MM294678
| Tanimoto metric | 0.6772 |
|---|---|
| Cosine metric | 0.8229 |
| Dice metric | 0.8075 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58530
Similarity: 0.6084
Similarity to MM58530
| Tanimoto metric | 0.6084 |
|---|---|
| Cosine metric | 0.7607 |
| Dice metric | 0.7565 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+64 more
