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DocumentationIdentifier: MM337183
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM337183 |
| SMILES |
CCC(=CN(C)C=N)CC
|
| InChIKey |
IBNGBNOCMDKFQV-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143479
Similarity: 0.9059
Similarity to MM143479
| Tanimoto metric | 0.9059 |
|---|---|
| Cosine metric | 0.9518 |
| Dice metric | 0.9506 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267452
Similarity: 0.79
Similarity to MM267452
| Tanimoto metric | 0.79 |
|---|---|
| Cosine metric | 0.8838 |
| Dice metric | 0.8827 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267528
Similarity: 0.7476
Similarity to MM267528
| Tanimoto metric | 0.7476 |
|---|---|
| Cosine metric | 0.8569 |
| Dice metric | 0.8556 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+427 more
