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DocumentationIdentifier: MM304831
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304831 |
| SMILES |
CC#CC(=CC#N)NC=N
|
| InChIKey |
ZXLJNCVALMNLKS-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM64009
Similarity: 0.8033
Similarity to MM64009
| Tanimoto metric | 0.8033 |
|---|---|
| Cosine metric | 0.8963 |
| Dice metric | 0.8909 |
| MW: | 119.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178762
Similarity: 0.7623
Similarity to MM178762
| Tanimoto metric | 0.7623 |
|---|---|
| Cosine metric | 0.8731 |
| Dice metric | 0.8651 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380733
Similarity: 0.7319
Similarity to MM380733
| Tanimoto metric | 0.7319 |
|---|---|
| Cosine metric | 0.8454 |
| Dice metric | 0.8452 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+136 more
