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DocumentationIdentifier: MM306691
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306691 |
| SMILES |
CC(C)C(OC=O)C(C)O
|
| InChIKey |
ZUEDKVMEHDZYHQ-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM296711
Similarity: 0.7385
Similarity to MM296711
| Tanimoto metric | 0.7385 |
|---|---|
| Cosine metric | 0.8496 |
| Dice metric | 0.8496 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49978
Similarity: 0.6048
Similarity to MM49978
| Tanimoto metric | 0.6048 |
|---|---|
| Cosine metric | 0.7598 |
| Dice metric | 0.7538 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375990
Similarity: 0.5957
Similarity to MM375990
| Tanimoto metric | 0.5957 |
|---|---|
| Cosine metric | 0.7467 |
| Dice metric | 0.7467 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+79 more
