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DocumentationIdentifier: MM233959
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233959 |
| SMILES |
CC(C)(COC=O)OC=O
|
| InChIKey |
BPQJWIAKYIGKQE-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138285
Similarity: 0.8795
Similarity to MM138285
| Tanimoto metric | 0.8795 |
|---|---|
| Cosine metric | 0.9378 |
| Dice metric | 0.9359 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233910
Similarity: 0.73
Similarity to MM233910
| Tanimoto metric | 0.73 |
|---|---|
| Cosine metric | 0.8446 |
| Dice metric | 0.8439 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28429
Similarity: 0.6627
Similarity to MM28429
| Tanimoto metric | 0.6627 |
|---|---|
| Cosine metric | 0.814 |
| Dice metric | 0.7971 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+153 more
