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DocumentationIdentifier: MM142667
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142667 |
| SMILES |
C=C(CC)OC(=O)CO
|
| InChIKey |
BGJDOQPSNNRZJZ-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM263557
Similarity: 0.8145
Similarity to MM263557
| Tanimoto metric | 0.8145 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.8978 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246367
Similarity: 0.8145
Similarity to MM246367
| Tanimoto metric | 0.8145 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.8978 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM65123
Similarity: 0.808
Similarity to MM65123
| Tanimoto metric | 0.808 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8938 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+323 more
