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DocumentationIdentifier: MM41024
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41024 |
| SMILES |
CC(CC#N)CC(N)=O
|
| InChIKey |
JXEXBJDTLNCDNM-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM272521
Similarity: 0.7383
Similarity to MM272521
| Tanimoto metric | 0.7383 |
|---|---|
| Cosine metric | 0.8593 |
| Dice metric | 0.8495 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM342748
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| Tanimoto metric | 0.7089 |
|---|---|
| Cosine metric | 0.8419 |
| Dice metric | 0.8296 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM43725
Similarity: 0.6923
Similarity to MM43725
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8185 |
| Dice metric | 0.8182 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+417 more
