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DocumentationIdentifier: MM72025
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM72025 |
| SMILES |
CC=CC(O)C(C)NC=O
|
| InChIKey |
QCVVVZOHTVAYMG-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.06
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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MM172184
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Similarity to MM172184
| Tanimoto metric | 0.8015 |
|---|---|
| Cosine metric | 0.8953 |
| Dice metric | 0.8898 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM387986
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| Tanimoto metric | 0.6149 |
|---|---|
| Cosine metric | 0.7651 |
| Dice metric | 0.7615 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM302371
Similarity: 0.6127
Similarity to MM302371
| Tanimoto metric | 0.6127 |
|---|---|
| Cosine metric | 0.7613 |
| Dice metric | 0.7599 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+97 more
