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DocumentationIdentifier: MM85822
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM85822 |
| SMILES |
CC=CC(CN)NC=NC
|
| InChIKey |
IULJYAQGRQDBAO-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199521
Similarity: 0.7714
Similarity to MM199521
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.871 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79641
Similarity: 0.6983
Similarity to MM79641
| Tanimoto metric | 0.6983 |
|---|---|
| Cosine metric | 0.8241 |
| Dice metric | 0.8223 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157385
Similarity: 0.6952
Similarity to MM157385
| Tanimoto metric | 0.6952 |
|---|---|
| Cosine metric | 0.8338 |
| Dice metric | 0.8202 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+191 more
