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DocumentationIdentifier: MM177979
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM177979 |
| SMILES |
O=CCC(C=O)CCF
|
| InChIKey |
JJAGTLXUURTAMI-UHFFFAOYSA-N
|
| MW [Da] |
132.13
Automatically obtained from RDkit software. |
| LogP |
0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM376642
Similarity: 0.8101
Similarity to MM376642
| Tanimoto metric | 0.8101 |
|---|---|
| Cosine metric | 0.9001 |
| Dice metric | 0.8951 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116001
Similarity: 0.75
Similarity to MM116001
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386693
Similarity: 0.7215
Similarity to MM386693
| Tanimoto metric | 0.7215 |
|---|---|
| Cosine metric | 0.8397 |
| Dice metric | 0.8382 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+349 more
