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DocumentationIdentifier: MM136307
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM136307 |
| SMILES |
NC=CC(=O)C=C(N)N
|
| InChIKey |
QZVQAOKSOZIFGZ-UHFFFAOYSA-N
|
| MW [Da] |
127.15
Automatically obtained from RDkit software. |
| LogP |
-1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM104881
Similarity: 0.9
Similarity to MM104881
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107753
Similarity: 0.7167
Similarity to MM107753
| Tanimoto metric | 0.7167 |
|---|---|
| Cosine metric | 0.8466 |
| Dice metric | 0.835 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23917
Similarity: 0.6923
Similarity to MM23917
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8216 |
| Dice metric | 0.8182 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+198 more
