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DocumentationIdentifier: MM378512
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378512 |
| SMILES |
C#CCC(C=O)C(N)=NC
|
| InChIKey |
IVXSJDOTWRKMQM-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.19
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM378270
Similarity: 0.6527
Similarity to MM378270
| Tanimoto metric | 0.6527 |
|---|---|
| Cosine metric | 0.7902 |
| Dice metric | 0.7899 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378060
Similarity: 0.6215
Similarity to MM378060
| Tanimoto metric | 0.6215 |
|---|---|
| Cosine metric | 0.7666 |
| Dice metric | 0.7666 |
| MW: | 146.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378272
Similarity: 0.6158
Similarity to MM378272
| Tanimoto metric | 0.6158 |
|---|---|
| Cosine metric | 0.7623 |
| Dice metric | 0.7622 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+17 more
