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DocumentationIdentifier: MM149988
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM149988 |
| SMILES |
C=CC(CC)CC(=N)N
|
| InChIKey |
AGMDXGVDSXAJTN-UHFFFAOYSA-N
|
| MW [Da] |
126.2
Automatically obtained from RDkit software. |
| LogP |
1.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM272407
Similarity: 0.8925
Similarity to MM272407
| Tanimoto metric | 0.8925 |
|---|---|
| Cosine metric | 0.9447 |
| Dice metric | 0.9432 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272740
Similarity: 0.8058
Similarity to MM272740
| Tanimoto metric | 0.8058 |
|---|---|
| Cosine metric | 0.8977 |
| Dice metric | 0.8925 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM275096
Similarity: 0.7981
Similarity to MM275096
| Tanimoto metric | 0.7981 |
|---|---|
| Cosine metric | 0.8934 |
| Dice metric | 0.8877 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+546 more
