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DocumentationIdentifier: MM306568
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM306568 |
| SMILES |
O=CCC(CCF)=C(F)F
|
| InChIKey |
WFMRLQYTJQSOGD-UHFFFAOYSA-N
|
| MW [Da] |
152.12
Automatically obtained from RDkit software. |
| LogP |
2.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178527
Similarity: 0.7959
Similarity to MM178527
| Tanimoto metric | 0.7959 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8864 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306589
Similarity: 0.7059
Similarity to MM306589
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8343 |
| Dice metric | 0.8276 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM272991
Similarity: 0.6983
Similarity to MM272991
| Tanimoto metric | 0.6983 |
|---|---|
| Cosine metric | 0.8223 |
| Dice metric | 0.8223 |
| MW: | 152.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+520 more
