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DocumentationIdentifier: MM235902
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235902 |
| SMILES |
CC(N)CCN=CN(C)C
|
| InChIKey |
DOZDUXLUEJQPKW-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM88871
Similarity: 0.747
Similarity to MM88871
| Tanimoto metric | 0.747 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8552 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154034
Similarity: 0.7465
Similarity to MM154034
| Tanimoto metric | 0.7465 |
|---|---|
| Cosine metric | 0.864 |
| Dice metric | 0.8548 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154035
Similarity: 0.7324
Similarity to MM154035
| Tanimoto metric | 0.7324 |
|---|---|
| Cosine metric | 0.8558 |
| Dice metric | 0.8455 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+186 more
