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DocumentationIdentifier: MM356109
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356109 |
| SMILES |
O=CNCC(=O)CNC=O
|
| InChIKey |
QKHATXMKRDHJRL-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-1.95
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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MM97408
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| Tanimoto metric | 0.7119 |
|---|---|
| Cosine metric | 0.8437 |
| Dice metric | 0.8317 |
| MW: | 101.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.5455 |
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| Cosine metric | 0.7059 |
| Dice metric | 0.7059 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM103459
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Similarity to MM103459
| Tanimoto metric | 0.5455 |
|---|---|
| Cosine metric | 0.7059 |
| Dice metric | 0.7059 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+64 more
