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DocumentationIdentifier: MM60252
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60252 |
| SMILES |
N#CCOC(=O)C=C(N)N
|
| InChIKey |
VHSMJJBBMXFBCS-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-1.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46461
Similarity: 0.8283
Similarity to MM46461
| Tanimoto metric | 0.8283 |
|---|---|
| Cosine metric | 0.9101 |
| Dice metric | 0.9061 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM136229
Similarity: 0.8182
Similarity to MM136229
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60251
Similarity: 0.75
Similarity to MM60251
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8581 |
| Dice metric | 0.8571 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+113 more
