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DocumentationIdentifier: MM229403
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229403 |
| SMILES |
CCC(C)(C#N)NC(C)=N
|
| InChIKey |
GGGBINCCUSJKAG-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM63822
Similarity: 0.7045
Similarity to MM63822
| Tanimoto metric | 0.7045 |
|---|---|
| Cosine metric | 0.8394 |
| Dice metric | 0.8267 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90415
Similarity: 0.6558
Similarity to MM90415
| Tanimoto metric | 0.6558 |
|---|---|
| Cosine metric | 0.7927 |
| Dice metric | 0.7922 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82976
Similarity: 0.6515
Similarity to MM82976
| Tanimoto metric | 0.6515 |
|---|---|
| Cosine metric | 0.8072 |
| Dice metric | 0.789 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+142 more
