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DocumentationIdentifier: MM339366
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM339366 |
| SMILES |
CCC(=CC(F)=CF)CC
|
| InChIKey |
IMBQEMGKGASXSD-UHFFFAOYSA-N
|
| MW [Da] |
146.18
Automatically obtained from RDkit software. |
| LogP |
3.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143893
Similarity: 0.8947
Similarity to MM143893
| Tanimoto metric | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150977
Similarity: 0.7579
Similarity to MM150977
| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.8623 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM248629
Similarity: 0.7544
Similarity to MM248629
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8611 |
| Dice metric | 0.86 |
| MW: | 150.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+426 more
