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DocumentationIdentifier: MM160767
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160767 |
| SMILES |
C=C(C(C)O)C(O)CO
|
| InChIKey |
IKPZGEVYWYCTDT-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172897
Similarity: 0.7813
Similarity to MM172897
| Tanimoto metric | 0.7813 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8772 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35480
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| Tanimoto metric | 0.7473 |
|---|---|
| Cosine metric | 0.8644 |
| Dice metric | 0.8553 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM390413
Similarity: 0.728
Similarity to MM390413
| Tanimoto metric | 0.728 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8426 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+565 more
