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DocumentationIdentifier: MM94401
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94401 |
| SMILES |
COC(=O)C(CCO)OC
|
| InChIKey |
NKCHFFVNWIDMEL-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
MM197231
Similarity: 0.7836
Similarity to MM197231
| Tanimoto metric | 0.7836 |
|---|---|
| Cosine metric | 0.8852 |
| Dice metric | 0.8787 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172409
Similarity: 0.7463
Similarity to MM172409
| Tanimoto metric | 0.7463 |
|---|---|
| Cosine metric | 0.8639 |
| Dice metric | 0.8547 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377588
Similarity: 0.7226
Similarity to MM377588
| Tanimoto metric | 0.7226 |
|---|---|
| Cosine metric | 0.839 |
| Dice metric | 0.839 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+216 more
