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DocumentationIdentifier: MM368254
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368254 |
| SMILES |
O=CC(O)COC=CCO
|
| InChIKey |
UFGAFESKCZRPPK-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM368250
Similarity: 0.837
Similarity to MM368250
| Tanimoto metric | 0.837 |
|---|---|
| Cosine metric | 0.9113 |
| Dice metric | 0.9112 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368512
Similarity: 0.8
Similarity to MM368512
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8889 |
| Dice metric | 0.8889 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368511
Similarity: 0.7917
Similarity to MM368511
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8838 |
| Dice metric | 0.8837 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+477 more
