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DocumentationIdentifier: MM163411
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163411 |
| SMILES |
N#CCNCC(O)C(N)=O
|
| InChIKey |
XSPORLHRZXPZNB-UHFFFAOYSA-N
|
| MW [Da] |
143.15
Automatically obtained from RDkit software. |
| LogP |
-2.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM301442
Similarity: 0.7583
Similarity to MM301442
| Tanimoto metric | 0.7583 |
|---|---|
| Cosine metric | 0.8633 |
| Dice metric | 0.8626 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301750
Similarity: 0.7165
Similarity to MM301750
| Tanimoto metric | 0.7165 |
|---|---|
| Cosine metric | 0.8349 |
| Dice metric | 0.8349 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348941
Similarity: 0.6947
Similarity to MM348941
| Tanimoto metric | 0.6947 |
|---|---|
| Cosine metric | 0.8199 |
| Dice metric | 0.8198 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+213 more
