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DocumentationIdentifier: MM397108
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM397108 |
| SMILES |
C#CC(=CCNC)C(N)=O
|
| InChIKey |
RQJNYZJFIVXJTD-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180799
Similarity: 0.8182
Similarity to MM180799
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM384620
Similarity: 0.7317
Similarity to MM384620
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8472 |
| Dice metric | 0.8451 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392108
Similarity: 0.6879
Similarity to MM392108
| Tanimoto metric | 0.6879 |
|---|---|
| Cosine metric | 0.8151 |
| Dice metric | 0.8151 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+116 more
