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DocumentationIdentifier: MM309987
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM309987 |
| SMILES |
CC(C=O)(CF)CC=CF
|
| InChIKey |
ULKJMCBMGAYZJC-UHFFFAOYSA-N
|
| MW [Da] |
148.15
Automatically obtained from RDkit software. |
| LogP |
2.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139399
Similarity: 0.81
Similarity to MM139399
| Tanimoto metric | 0.81 |
|---|---|
| Cosine metric | 0.9 |
| Dice metric | 0.895 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199501
Similarity: 0.78
Similarity to MM199501
| Tanimoto metric | 0.78 |
|---|---|
| Cosine metric | 0.8832 |
| Dice metric | 0.8764 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309985
Similarity: 0.6864
Similarity to MM309985
| Tanimoto metric | 0.6864 |
|---|---|
| Cosine metric | 0.8141 |
| Dice metric | 0.8141 |
| MW: | 144.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+623 more
