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DocumentationIdentifier: MM25146
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM25146 |
| SMILES |
N#CCNC=O
|
| InChIKey |
HHENWUYAOCBSAE-UHFFFAOYSA-N
|
| MW [Da] |
84.08
Automatically obtained from RDkit software. |
| LogP |
-0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM23604
Similarity: 0.7
Similarity to MM23604
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 98.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM97430
Similarity: 0.6667
Similarity to MM97430
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 98.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26279
Similarity: 0.6512
Similarity to MM26279
| Tanimoto metric | 0.6512 |
|---|---|
| Cosine metric | 0.8069 |
| Dice metric | 0.7887 |
| MW: | 98.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+32 more
