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DocumentationIdentifier: MM54404
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54404 |
| SMILES |
O=CCNC(C=O)C=O
|
| InChIKey |
LEVVLAVIOWGKRH-UHFFFAOYSA-N
|
| MW [Da] |
129.12
Automatically obtained from RDkit software. |
| LogP |
-1.46
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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MM41044
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| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8602 |
| Dice metric | 0.8506 |
| MW: | 101.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM45336
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| Tanimoto metric | 0.7222 |
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| Cosine metric | 0.8411 |
| Dice metric | 0.8387 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM39273
Similarity: 0.7143
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| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8356 |
| Dice metric | 0.8333 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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