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DocumentationIdentifier: MM250959
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250959 |
| SMILES |
C=CNC(=N)CNC(C)C
|
| InChIKey |
HKVRBHKZCGQJPL-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM156405
Similarity: 0.8409
Similarity to MM156405
| Tanimoto metric | 0.8409 |
|---|---|
| Cosine metric | 0.917 |
| Dice metric | 0.9136 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292092
Similarity: 0.7708
Similarity to MM292092
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.8711 |
| Dice metric | 0.8706 |
| MW: | 142.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292314
Similarity: 0.7184
Similarity to MM292314
| Tanimoto metric | 0.7184 |
|---|---|
| Cosine metric | 0.8362 |
| Dice metric | 0.8362 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+369 more
