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DocumentationIdentifier: MM197430
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197430 |
| SMILES |
C#CC(CN)C(=N)NC
|
| InChIKey |
XTNDWMWQMOAMSF-UHFFFAOYSA-N
|
| MW [Da] |
125.18
Automatically obtained from RDkit software. |
| LogP |
-0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM117045
Similarity: 0.6735
Similarity to MM117045
| Tanimoto metric | 0.6735 |
|---|---|
| Cosine metric | 0.8207 |
| Dice metric | 0.8049 |
| MW: | 111.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111733
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Similarity to MM111733
| Tanimoto metric | 0.6735 |
|---|---|
| Cosine metric | 0.8207 |
| Dice metric | 0.8049 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM393698
Similarity: 0.6693
Similarity to MM393698
| Tanimoto metric | 0.6693 |
|---|---|
| Cosine metric | 0.8042 |
| Dice metric | 0.8019 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+303 more
