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DocumentationIdentifier: MM372889
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM372889 |
| SMILES |
C=CNC=NCC(N)C=C
|
| InChIKey |
NIJHZXWKERXDAH-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM258932
Similarity: 0.7677
Similarity to MM258932
| Tanimoto metric | 0.7677 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8686 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153594
Similarity: 0.7614
Similarity to MM153594
| Tanimoto metric | 0.7614 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8645 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215031
Similarity: 0.6705
Similarity to MM215031
| Tanimoto metric | 0.6705 |
|---|---|
| Cosine metric | 0.8188 |
| Dice metric | 0.8027 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+202 more
