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DocumentationIdentifier: MM172184
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172184 |
| SMILES |
C=CC(O)C(C)NC=O
|
| InChIKey |
PRECZMNVAGABMG-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.33
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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MM72025
Similarity: 0.8015
Similarity to MM72025
| Tanimoto metric | 0.8015 |
|---|---|
| Cosine metric | 0.8953 |
| Dice metric | 0.8898 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348618
Similarity: 0.7192
Similarity to MM348618
| Tanimoto metric | 0.7192 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.8367 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302371
Similarity: 0.7095
Similarity to MM302371
| Tanimoto metric | 0.7095 |
|---|---|
| Cosine metric | 0.8423 |
| Dice metric | 0.83 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+172 more
