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DocumentationIdentifier: MM295429
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295429 |
| SMILES |
C=CNC(=N)C(C)C#CC
|
| InChIKey |
GZWNCXVIGGDFIO-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173555
Similarity: 0.8083
Similarity to MM173555
| Tanimoto metric | 0.8083 |
|---|---|
| Cosine metric | 0.8991 |
| Dice metric | 0.894 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174631
Similarity: 0.7833
Similarity to MM174631
| Tanimoto metric | 0.7833 |
|---|---|
| Cosine metric | 0.8851 |
| Dice metric | 0.8785 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61192
Similarity: 0.7405
Similarity to MM61192
| Tanimoto metric | 0.7405 |
|---|---|
| Cosine metric | 0.8521 |
| Dice metric | 0.8509 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+402 more
