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DocumentationIdentifier: MM77140
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77140 |
| SMILES |
C=COCC(O)(CC)CO
|
| InChIKey |
HFSNDSRZLNYPIW-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM235088
Similarity: 0.8062
Similarity to MM235088
| Tanimoto metric | 0.8062 |
|---|---|
| Cosine metric | 0.8946 |
| Dice metric | 0.8927 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138261
Similarity: 0.7523
Similarity to MM138261
| Tanimoto metric | 0.7523 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8586 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139234
Similarity: 0.7523
Similarity to MM139234
| Tanimoto metric | 0.7523 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8586 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+347 more
