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DocumentationIdentifier: MM162176
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM162176 |
| SMILES |
CC(NCCO)C(=N)N
|
| InChIKey |
UQLPTNCYEGTZKI-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-1.11
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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MM245252
Similarity: 0.8125
Similarity to MM245252
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM235204
Similarity: 0.7583
Similarity to MM235204
| Tanimoto metric | 0.7583 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8626 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM108213
Similarity: 0.7582
Similarity to MM108213
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8708 |
| Dice metric | 0.8625 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+217 more
