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DocumentationIdentifier: MM397668
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM397668 |
| SMILES |
CC=COC(C=O)=C(N)N
|
| InChIKey |
JMMXDLQCGRUJMA-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.18
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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MM52851
Similarity: 0.8214
Similarity to MM52851
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM55066
Similarity: 0.7768
Similarity to MM55066
| Tanimoto metric | 0.7768 |
|---|---|
| Cosine metric | 0.8814 |
| Dice metric | 0.8744 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM397672
Similarity: 0.694
Similarity to MM397672
| Tanimoto metric | 0.694 |
|---|---|
| Cosine metric | 0.8195 |
| Dice metric | 0.8194 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+148 more
