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DocumentationIdentifier: MM179824
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179824 |
| SMILES |
CNCC(OC)C(=N)N
|
| InChIKey |
OCTARLFBVOJGFN-UHFFFAOYSA-N
|
| MW [Da] |
131.18
Automatically obtained from RDkit software. |
| LogP |
-0.84
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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| Tanimoto metric | 0.8374 |
|---|---|
| Cosine metric | 0.9151 |
| Dice metric | 0.9115 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM377406
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| Tanimoto metric | 0.8175 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8996 |
| MW: | 145.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+282 more
