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DocumentationIdentifier: MM403267
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403267 |
| SMILES |
N#CC(CO)CCNC=N
|
| InChIKey |
XFSQMUFWOFOVOX-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM57352
Similarity: 0.8105
Similarity to MM57352
| Tanimoto metric | 0.8105 |
|---|---|
| Cosine metric | 0.9003 |
| Dice metric | 0.8953 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60259
Similarity: 0.7196
Similarity to MM60259
| Tanimoto metric | 0.7196 |
|---|---|
| Cosine metric | 0.8374 |
| Dice metric | 0.837 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403271
Similarity: 0.6875
Similarity to MM403271
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8148 |
| Dice metric | 0.8148 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+191 more
