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DocumentationIdentifier: MM295843
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM295843 |
| SMILES |
CC(=CCF)C(O)CCO
|
| InChIKey |
WNAZKSWPTSGTQU-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM175068
Similarity: 0.8067
Similarity to MM175068
| Tanimoto metric | 0.8067 |
|---|---|
| Cosine metric | 0.8982 |
| Dice metric | 0.893 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300277
Similarity: 0.6531
Similarity to MM300277
| Tanimoto metric | 0.6531 |
|---|---|
| Cosine metric | 0.7903 |
| Dice metric | 0.7901 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295943
Similarity: 0.6458
Similarity to MM295943
| Tanimoto metric | 0.6458 |
|---|---|
| Cosine metric | 0.7848 |
| Dice metric | 0.7848 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+523 more
