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DocumentationIdentifier: MM355752
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355752 |
| SMILES |
CNC(=N)C(C)C=CCO
|
| InChIKey |
XYEHMCQTDPYXPX-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174142
Similarity: 0.8017
Similarity to MM174142
| Tanimoto metric | 0.8017 |
|---|---|
| Cosine metric | 0.8954 |
| Dice metric | 0.8899 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163196
Similarity: 0.7355
Similarity to MM163196
| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.8576 |
| Dice metric | 0.8476 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379483
Similarity: 0.6646
Similarity to MM379483
| Tanimoto metric | 0.6646 |
|---|---|
| Cosine metric | 0.801 |
| Dice metric | 0.7985 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+326 more
