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DocumentationIdentifier: MM126494
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126494 |
| SMILES |
FCC=CC=CCF
|
| InChIKey |
RYNJLKDGFBUWEY-UHFFFAOYSA-N
|
| MW [Da] |
118.13
Automatically obtained from RDkit software. |
| LogP |
2.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM100944
Similarity: 0.9286
Similarity to MM100944
| Tanimoto metric | 0.9286 |
|---|---|
| Cosine metric | 0.9636 |
| Dice metric | 0.963 |
| MW: | 100.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25315
Similarity: 0.7857
Similarity to MM25315
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 86.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM126513
Similarity: 0.7647
Similarity to MM126513
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8667 |
| MW: | 112.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+306 more
