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DocumentationIdentifier: MM305000
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305000 |
| SMILES |
O=CCC(CCF)C(F)F
|
| InChIKey |
NCRFNGAKIURXLA-UHFFFAOYSA-N
|
| MW [Da] |
154.13
Automatically obtained from RDkit software. |
| LogP |
1.82
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51208
Similarity: 0.7619
Similarity to MM51208
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306677
Similarity: 0.6569
Similarity to MM306677
| Tanimoto metric | 0.6569 |
|---|---|
| Cosine metric | 0.7929 |
| Dice metric | 0.7929 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108102
Similarity: 0.6071
Similarity to MM108102
| Tanimoto metric | 0.6071 |
|---|---|
| Cosine metric | 0.7792 |
| Dice metric | 0.7556 |
| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+317 more
