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DocumentationIdentifier: MM379296
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM379296 |
| SMILES |
C=CN(C=NC)C(C)CO
|
| InChIKey |
VBLVHBYWHXTGML-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197094
Similarity: 0.7966
Similarity to MM197094
| Tanimoto metric | 0.7966 |
|---|---|
| Cosine metric | 0.8925 |
| Dice metric | 0.8868 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400656
Similarity: 0.7231
Similarity to MM400656
| Tanimoto metric | 0.7231 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.8393 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM96120
Similarity: 0.6949
Similarity to MM96120
| Tanimoto metric | 0.6949 |
|---|---|
| Cosine metric | 0.8336 |
| Dice metric | 0.82 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+170 more
