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DocumentationIdentifier: MM244070
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244070 |
| SMILES |
C=CC(C)(NC=N)C(=C)C
|
| InChIKey |
XACLLKYQCGNUJA-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132750
Similarity: 0.7426
Similarity to MM132750
| Tanimoto metric | 0.7426 |
|---|---|
| Cosine metric | 0.8618 |
| Dice metric | 0.8523 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235345
Similarity: 0.6516
Similarity to MM235345
| Tanimoto metric | 0.6516 |
|---|---|
| Cosine metric | 0.7906 |
| Dice metric | 0.7891 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM394110
Similarity: 0.6013
Similarity to MM394110
| Tanimoto metric | 0.6013 |
|---|---|
| Cosine metric | 0.7556 |
| Dice metric | 0.751 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
