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DocumentationIdentifier: MM237986
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM237986 |
| SMILES |
C=CCC=C(C)NC(C)=N
|
| InChIKey |
YDNHSPRYFMFBJB-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM136050
Similarity: 0.8584
Similarity to MM136050
| Tanimoto metric | 0.8584 |
|---|---|
| Cosine metric | 0.9265 |
| Dice metric | 0.9238 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223495
Similarity: 0.7405
Similarity to MM223495
| Tanimoto metric | 0.7405 |
|---|---|
| Cosine metric | 0.8509 |
| Dice metric | 0.8509 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM237987
Similarity: 0.7185
Similarity to MM237987
| Tanimoto metric | 0.7185 |
|---|---|
| Cosine metric | 0.8365 |
| Dice metric | 0.8362 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+551 more
