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DocumentationIdentifier: MM60473
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM60473 |
| SMILES |
CCC=CC(C#N)NC=N
|
| InChIKey |
TYMYATHAQXXLRV-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
1.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM60382
Similarity: 0.8491
Similarity to MM60382
| Tanimoto metric | 0.8491 |
|---|---|
| Cosine metric | 0.9214 |
| Dice metric | 0.9184 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM274049
Similarity: 0.7339
Similarity to MM274049
| Tanimoto metric | 0.7339 |
|---|---|
| Cosine metric | 0.8466 |
| Dice metric | 0.8465 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60302
Similarity: 0.7317
Similarity to MM60302
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8451 |
| Dice metric | 0.8451 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+95 more
