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DocumentationIdentifier: MM98073
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM98073 |
| SMILES |
CNC(=O)CC=O
|
| InChIKey |
GUZHNHLBMZROSU-UHFFFAOYSA-N
|
| MW [Da] |
101.11
Automatically obtained from RDkit software. |
| LogP |
-0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM104556
Similarity: 0.7719
Similarity to MM104556
| Tanimoto metric | 0.7719 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8713 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM107406
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| Tanimoto metric | 0.7719 |
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| Cosine metric | 0.8786 |
| Dice metric | 0.8713 |
| MW: | 115.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM142567
Similarity: 0.7213
Similarity to MM142567
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.8381 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+170 more
