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DocumentationIdentifier: MM104539
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104539 |
| SMILES |
N=C(N)CC(=O)CO
|
| InChIKey |
LUVBZGOWPGLMKH-UHFFFAOYSA-N
|
| MW [Da] |
116.12
Automatically obtained from RDkit software. |
| LogP |
-1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142545
Similarity: 0.7429
Similarity to MM142545
| Tanimoto metric | 0.7429 |
|---|---|
| Cosine metric | 0.8619 |
| Dice metric | 0.8525 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM160495
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| Tanimoto metric | 0.629 |
|---|---|
| Cosine metric | 0.7931 |
| Dice metric | 0.7723 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM160512
Similarity: 0.6047
Similarity to MM160512
| Tanimoto metric | 0.6047 |
|---|---|
| Cosine metric | 0.7776 |
| Dice metric | 0.7536 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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