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DocumentationIdentifier: MM116460
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116460 |
| SMILES |
CC=C(CC)NC=N
|
| InChIKey |
WPJUBTVSBHPBLD-UHFFFAOYSA-N
|
| MW [Da] |
112.18
Automatically obtained from RDkit software. |
| LogP |
1.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178617
Similarity: 0.7802
Similarity to MM178617
| Tanimoto metric | 0.7802 |
|---|---|
| Cosine metric | 0.8833 |
| Dice metric | 0.8765 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180347
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| Tanimoto metric | 0.7717 |
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| Cosine metric | 0.8785 |
| Dice metric | 0.8712 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM178952
Similarity: 0.7717
Similarity to MM178952
| Tanimoto metric | 0.7717 |
|---|---|
| Cosine metric | 0.8785 |
| Dice metric | 0.8712 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+487 more
