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DocumentationIdentifier: MM90415
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90415 |
| SMILES |
CC(=N)NC(C#N)C(C)C
|
| InChIKey |
ZWSKPWQGJIAIBA-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM272450
Similarity: 0.6735
Similarity to MM272450
| Tanimoto metric | 0.6735 |
|---|---|
| Cosine metric | 0.8049 |
| Dice metric | 0.8049 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133577
Similarity: 0.6667
Similarity to MM133577
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229403
Similarity: 0.6558
Similarity to MM229403
| Tanimoto metric | 0.6558 |
|---|---|
| Cosine metric | 0.7927 |
| Dice metric | 0.7922 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+137 more
