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DocumentationIdentifier: MM178654
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM178654 |
| SMILES |
C#CCC(=CC)NC=N
|
| InChIKey |
BPRUUKQTLGOVEK-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM304542
Similarity: 0.8362
Similarity to MM304542
| Tanimoto metric | 0.8362 |
|---|---|
| Cosine metric | 0.9144 |
| Dice metric | 0.9108 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376986
Similarity: 0.8291
Similarity to MM376986
| Tanimoto metric | 0.8291 |
|---|---|
| Cosine metric | 0.9105 |
| Dice metric | 0.9065 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377038
Similarity: 0.8291
Similarity to MM377038
| Tanimoto metric | 0.8291 |
|---|---|
| Cosine metric | 0.9105 |
| Dice metric | 0.9065 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+206 more
