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DocumentationIdentifier: MM373880
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM373880 |
| SMILES |
C#CCC=CNC(=N)CC
|
| InChIKey |
QJLMAOOVCQQZFE-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
1.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM168502
Similarity: 0.8444
Similarity to MM168502
| Tanimoto metric | 0.8444 |
|---|---|
| Cosine metric | 0.9189 |
| Dice metric | 0.9157 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288768
Similarity: 0.7475
Similarity to MM288768
| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8562 |
| Dice metric | 0.8555 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373611
Similarity: 0.7404
Similarity to MM373611
| Tanimoto metric | 0.7404 |
|---|---|
| Cosine metric | 0.8508 |
| Dice metric | 0.8508 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+552 more
