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DocumentationIdentifier: MM317882
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317882 |
| SMILES |
O=CNC=COCC(=O)O
|
| InChIKey |
PJBJFWRAFWGWIX-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
-0.7
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM56578
Similarity: 0.7229
Similarity to MM56578
| Tanimoto metric | 0.7229 |
|---|---|
| Cosine metric | 0.8502 |
| Dice metric | 0.8392 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288607
Similarity: 0.6058
Similarity to MM288607
| Tanimoto metric | 0.6058 |
|---|---|
| Cosine metric | 0.7545 |
| Dice metric | 0.7545 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM372918
Similarity: 0.6019
Similarity to MM372918
| Tanimoto metric | 0.6019 |
|---|---|
| Cosine metric | 0.7515 |
| Dice metric | 0.7515 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+145 more
