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DocumentationIdentifier: MM238171
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM238171 |
| SMILES |
N#CCNC(=O)C=C(N)N
|
| InChIKey |
DQJNMTYNWGUCKE-UHFFFAOYSA-N
|
| MW [Da] |
140.15
Automatically obtained from RDkit software. |
| LogP |
-1.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157322
Similarity: 0.8218
Similarity to MM157322
| Tanimoto metric | 0.8218 |
|---|---|
| Cosine metric | 0.9065 |
| Dice metric | 0.9022 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298579
Similarity: 0.802
Similarity to MM298579
| Tanimoto metric | 0.802 |
|---|---|
| Cosine metric | 0.8955 |
| Dice metric | 0.8901 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301592
Similarity: 0.6864
Similarity to MM301592
| Tanimoto metric | 0.6864 |
|---|---|
| Cosine metric | 0.8142 |
| Dice metric | 0.8141 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+138 more
