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DocumentationIdentifier: MM368353
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368353 |
| SMILES |
CCC=CCCN(C)C=N
|
| InChIKey |
KLTYYWIEVGYCQL-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167318
Similarity: 0.9275
Similarity to MM167318
| Tanimoto metric | 0.9275 |
|---|---|
| Cosine metric | 0.9631 |
| Dice metric | 0.9624 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260497
Similarity: 0.8101
Similarity to MM260497
| Tanimoto metric | 0.8101 |
|---|---|
| Cosine metric | 0.8957 |
| Dice metric | 0.8951 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368355
Similarity: 0.7805
Similarity to MM368355
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8767 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+333 more
