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DocumentationIdentifier: MM102337
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM102337 |
| SMILES |
CC(=O)C(C=O)NCC=O
|
| InChIKey |
MCHWUMBVKAKFFU-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM37114
Similarity: 0.7521
Similarity to MM37114
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8594 |
| Dice metric | 0.8585 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM393491
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| Tanimoto metric | 0.7311 |
|---|---|
| Cosine metric | 0.8457 |
| Dice metric | 0.8447 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM46800
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Similarity to MM46800
| Tanimoto metric | 0.5667 |
|---|---|
| Cosine metric | 0.7241 |
| Dice metric | 0.7234 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+17 more
