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DocumentationIdentifier: MM329301
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM329301 |
| SMILES |
C=CC(CN)NC(=N)CC
|
| InChIKey |
CLQVAABGKWXJAX-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150022
Similarity: 0.7787
Similarity to MM150022
| Tanimoto metric | 0.7787 |
|---|---|
| Cosine metric | 0.8824 |
| Dice metric | 0.8756 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142271
Similarity: 0.7131
Similarity to MM142271
| Tanimoto metric | 0.7131 |
|---|---|
| Cosine metric | 0.8445 |
| Dice metric | 0.8325 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM272461
Similarity: 0.6853
Similarity to MM272461
| Tanimoto metric | 0.6853 |
|---|---|
| Cosine metric | 0.8133 |
| Dice metric | 0.8133 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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