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DocumentationIdentifier: MM356798
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356798 |
| SMILES |
CC=COC(=O)CNC=O
|
| InChIKey |
NGWSLVYJQAGDCB-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.19
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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MM46078
Similarity: 0.8317
Similarity to MM46078
| Tanimoto metric | 0.8317 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9081 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356800
Similarity: 0.6942
Similarity to MM356800
| Tanimoto metric | 0.6942 |
|---|---|
| Cosine metric | 0.8196 |
| Dice metric | 0.8195 |
| MW: | 147.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23796
Similarity: 0.6512
Similarity to MM23796
| Tanimoto metric | 0.6512 |
|---|---|
| Cosine metric | 0.7898 |
| Dice metric | 0.7887 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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