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DocumentationIdentifier: MM393499
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393499 |
| SMILES |
N#CC(NCC=O)C(=N)N
|
| InChIKey |
HCMCEKUCGSHLLT-UHFFFAOYSA-N
|
| MW [Da] |
140.15
Automatically obtained from RDkit software. |
| LogP |
-1.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179964
Similarity: 0.8106
Similarity to MM179964
| Tanimoto metric | 0.8106 |
|---|---|
| Cosine metric | 0.9003 |
| Dice metric | 0.8954 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33178
Similarity: 0.723
Similarity to MM33178
| Tanimoto metric | 0.723 |
|---|---|
| Cosine metric | 0.8397 |
| Dice metric | 0.8392 |
| MW: | 137.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393495
Similarity: 0.6903
Similarity to MM393495
| Tanimoto metric | 0.6903 |
|---|---|
| Cosine metric | 0.8168 |
| Dice metric | 0.8168 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+28 more
