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DocumentationIdentifier: MM174859
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM174859 |
| SMILES |
CC(=CF)C(=O)CCF
|
| InChIKey |
NPFLJPAKQFNHET-UHFFFAOYSA-N
|
| MW [Da] |
134.13
Automatically obtained from RDkit software. |
| LogP |
1.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM269911
Similarity: 0.8211
Similarity to MM269911
| Tanimoto metric | 0.8211 |
|---|---|
| Cosine metric | 0.9062 |
| Dice metric | 0.9018 |
| MW: | 152.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112303
Similarity: 0.7327
Similarity to MM112303
| Tanimoto metric | 0.7327 |
|---|---|
| Cosine metric | 0.856 |
| Dice metric | 0.8457 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269909
Similarity: 0.7163
Similarity to MM269909
| Tanimoto metric | 0.7163 |
|---|---|
| Cosine metric | 0.8464 |
| Dice metric | 0.8347 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+503 more
