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DocumentationIdentifier: MM255950
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM255950 |
| SMILES |
CC(C)=CNC(=N)C(C)C
|
| InChIKey |
JKJKMCNGLDUUFQ-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162930
Similarity: 0.8557
Similarity to MM162930
| Tanimoto metric | 0.8557 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM146401
Similarity: 0.8144
Similarity to MM146401
| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.8977 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304428
Similarity: 0.7685
Similarity to MM304428
| Tanimoto metric | 0.7685 |
|---|---|
| Cosine metric | 0.8692 |
| Dice metric | 0.8691 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+492 more
