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DocumentationIdentifier: MM272407
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM272407 |
| SMILES |
C=CC(CCN)CC(=N)N
|
| InChIKey |
LEJIRYSAZIWHCQ-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM149988
Similarity: 0.8925
Similarity to MM149988
| Tanimoto metric | 0.8925 |
|---|---|
| Cosine metric | 0.9447 |
| Dice metric | 0.9432 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272740
Similarity: 0.75
Similarity to MM272740
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8583 |
| Dice metric | 0.8571 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM275096
Similarity: 0.7281
Similarity to MM275096
| Tanimoto metric | 0.7281 |
|---|---|
| Cosine metric | 0.844 |
| Dice metric | 0.8426 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+633 more
