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DocumentationIdentifier: MM268383
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268383 |
| SMILES |
CC(C)OC(C)C(O)C=O
|
| InChIKey |
OBYIJWCTENWNOZ-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50009
Similarity: 0.8654
Similarity to MM50009
| Tanimoto metric | 0.8654 |
|---|---|
| Cosine metric | 0.9303 |
| Dice metric | 0.9278 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM362464
Similarity: 0.7931
Similarity to MM362464
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8846 |
| Dice metric | 0.8846 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376707
Similarity: 0.7222
Similarity to MM376707
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8394 |
| Dice metric | 0.8387 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+290 more
