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DocumentationIdentifier: MM304407
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304407 |
| SMILES |
N#CCC(=CC=O)NC=N
|
| InChIKey |
XXYSJEDNJQDUAM-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM77442
Similarity: 0.6783
Similarity to MM77442
| Tanimoto metric | 0.6783 |
|---|---|
| Cosine metric | 0.809 |
| Dice metric | 0.8083 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304405
Similarity: 0.6738
Similarity to MM304405
| Tanimoto metric | 0.6738 |
|---|---|
| Cosine metric | 0.8065 |
| Dice metric | 0.8051 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376869
Similarity: 0.6736
Similarity to MM376869
| Tanimoto metric | 0.6736 |
|---|---|
| Cosine metric | 0.8055 |
| Dice metric | 0.805 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+37 more
