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DocumentationIdentifier: MM54764
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54764 |
| SMILES |
C#CC(C=O)(C=O)C(=N)N
|
| InChIKey |
WVMKLMHAWBTTRU-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
-1.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM76098
Similarity: 0.8468
Similarity to MM76098
| Tanimoto metric | 0.8468 |
|---|---|
| Cosine metric | 0.9202 |
| Dice metric | 0.917 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75591
Similarity: 0.6646
Similarity to MM75591
| Tanimoto metric | 0.6646 |
|---|---|
| Cosine metric | 0.7998 |
| Dice metric | 0.7985 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM140098
Similarity: 0.6613
Similarity to MM140098
| Tanimoto metric | 0.6613 |
|---|---|
| Cosine metric | 0.8132 |
| Dice metric | 0.7961 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+26 more
