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DocumentationIdentifier: MM231393
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231393 |
| SMILES |
C=C(CNC=N)C(C)(C)C
|
| InChIKey |
UOSIHMWLRJMZIT-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.8478 |
|---|---|
| Cosine metric | 0.9208 |
| Dice metric | 0.9176 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7358 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8478 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM246128
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Similarity to MM246128
| Tanimoto metric | 0.6555 |
|---|---|
| Cosine metric | 0.7936 |
| Dice metric | 0.7919 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+201 more
