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DocumentationIdentifier: MM69109
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM69109 |
| SMILES |
C=CN(C)C(=N)CC#N
|
| InChIKey |
KAAJNSSBWDDKEH-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM410938
Similarity: 0.8899
Similarity to MM410938
| Tanimoto metric | 0.8899 |
|---|---|
| Cosine metric | 0.9433 |
| Dice metric | 0.9417 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69538
Similarity: 0.7216
Similarity to MM69538
| Tanimoto metric | 0.7216 |
|---|---|
| Cosine metric | 0.8495 |
| Dice metric | 0.8383 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351558
Similarity: 0.7185
Similarity to MM351558
| Tanimoto metric | 0.7185 |
|---|---|
| Cosine metric | 0.8477 |
| Dice metric | 0.8362 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+186 more
