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DocumentationIdentifier: MM306842
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306842 |
| SMILES |
C=CCC(C(=N)N)C(C)C
|
| InChIKey |
GOJYBMSPOQRXKT-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
1.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM388516
Similarity: 0.8678
Similarity to MM388516
| Tanimoto metric | 0.8678 |
|---|---|
| Cosine metric | 0.9301 |
| Dice metric | 0.9292 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179859
Similarity: 0.7778
Similarity to MM179859
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305428
Similarity: 0.75
Similarity to MM305428
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8616 |
| Dice metric | 0.8571 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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