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DocumentationIdentifier: MM90508
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90508 |
| SMILES |
CC(=CNC=N)OCC#N
|
| InChIKey |
XGLYKZOYVDLTJS-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
0.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM91106
Similarity: 0.81
Similarity to MM91106
| Tanimoto metric | 0.81 |
|---|---|
| Cosine metric | 0.9 |
| Dice metric | 0.895 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360252
Similarity: 0.7281
Similarity to MM360252
| Tanimoto metric | 0.7281 |
|---|---|
| Cosine metric | 0.8427 |
| Dice metric | 0.8426 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM237904
Similarity: 0.6864
Similarity to MM237904
| Tanimoto metric | 0.6864 |
|---|---|
| Cosine metric | 0.8141 |
| Dice metric | 0.8141 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+249 more
