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DocumentationIdentifier: MM362247
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM362247 |
| SMILES |
COC(C)C(O)COC=O
|
| InChIKey |
TUMSPQZMOQMNRL-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM406506
Similarity: 0.6607
Similarity to MM406506
| Tanimoto metric | 0.6607 |
|---|---|
| Cosine metric | 0.7969 |
| Dice metric | 0.7957 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM402452
Similarity: 0.6455
Similarity to MM402452
| Tanimoto metric | 0.6455 |
|---|---|
| Cosine metric | 0.7872 |
| Dice metric | 0.7845 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165755
Similarity: 0.6224
Similarity to MM165755
| Tanimoto metric | 0.6224 |
|---|---|
| Cosine metric | 0.789 |
| Dice metric | 0.7673 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+264 more
