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DocumentationIdentifier: MM301472
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301472 |
| SMILES |
C=C(C)C(O)COCCO
|
| InChIKey |
YJWYBFLYDZWXTL-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162167
Similarity: 0.8958
Similarity to MM162167
| Tanimoto metric | 0.8958 |
|---|---|
| Cosine metric | 0.9465 |
| Dice metric | 0.9451 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348955
Similarity: 0.7521
Similarity to MM348955
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8603 |
| Dice metric | 0.8585 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM73138
Similarity: 0.7478
Similarity to MM73138
| Tanimoto metric | 0.7478 |
|---|---|
| Cosine metric | 0.8566 |
| Dice metric | 0.8557 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+455 more
