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DocumentationIdentifier: MM282018
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282018 |
| SMILES |
C#CCC(=C)C=CNC=N
|
| InChIKey |
PORVNFGHEBYKMZ-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169881
Similarity: 0.766
Similarity to MM169881
| Tanimoto metric | 0.766 |
|---|---|
| Cosine metric | 0.8752 |
| Dice metric | 0.8675 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282019
Similarity: 0.6909
Similarity to MM282019
| Tanimoto metric | 0.6909 |
|---|---|
| Cosine metric | 0.8173 |
| Dice metric | 0.8172 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281790
Similarity: 0.6667
Similarity to MM281790
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8008 |
| Dice metric | 0.8 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+409 more
