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DocumentationIdentifier: MM47086
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47086 |
| SMILES |
CC(=CC=O)OCCO
|
| InChIKey |
UNSYJRAKLQUGFS-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM107852
Similarity: 0.7895
Similarity to MM107852
| Tanimoto metric | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381655
Similarity: 0.7525
Similarity to MM381655
| Tanimoto metric | 0.7525 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8588 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90146
Similarity: 0.7451
Similarity to MM90146
| Tanimoto metric | 0.7451 |
|---|---|
| Cosine metric | 0.8632 |
| Dice metric | 0.8539 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+447 more
