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DocumentationIdentifier: MM108344
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108344 |
| SMILES |
CC(O)C(=O)CCF
|
| InChIKey |
CBVWLCBTOXRYIF-UHFFFAOYSA-N
|
| MW [Da] |
120.12
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111718
Similarity: 0.7317
Similarity to MM111718
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8451 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50322
Similarity: 0.7312
Similarity to MM50322
| Tanimoto metric | 0.7312 |
|---|---|
| Cosine metric | 0.8551 |
| Dice metric | 0.8447 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40283
Similarity: 0.701
Similarity to MM40283
| Tanimoto metric | 0.701 |
|---|---|
| Cosine metric | 0.8373 |
| Dice metric | 0.8242 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+433 more
