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DocumentationIdentifier: MM416733
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM416733 |
| SMILES |
C=CC(=CF)CCC=CC
|
| InChIKey |
ZDWZNBCSCXVWJC-UHFFFAOYSA-N
|
| MW [Da] |
140.2
Automatically obtained from RDkit software. |
| LogP |
3.38
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200129
Similarity: 0.8095
Similarity to MM200129
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM416739
Similarity: 0.7391
Similarity to MM416739
| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8511 |
| Dice metric | 0.85 |
| MW: | 144.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167927
Similarity: 0.7381
Similarity to MM167927
| Tanimoto metric | 0.7381 |
|---|---|
| Cosine metric | 0.8591 |
| Dice metric | 0.8493 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+296 more
