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DocumentationIdentifier: MM272573
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272573 |
| SMILES |
N#CCN(C=O)CC(N)=O
|
| InChIKey |
SXICUPXXXUDTQQ-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-1.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150075
Similarity: 0.7248
Similarity to MM150075
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8404 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51316
Similarity: 0.6697
Similarity to MM51316
| Tanimoto metric | 0.6697 |
|---|---|
| Cosine metric | 0.8184 |
| Dice metric | 0.8022 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387231
Similarity: 0.6033
Similarity to MM387231
| Tanimoto metric | 0.6033 |
|---|---|
| Cosine metric | 0.7584 |
| Dice metric | 0.7526 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+68 more
