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DocumentationIdentifier: MM213851
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM213851 |
| SMILES |
C=CC=CCOCC=C
|
| InChIKey |
OIOJJGTXJJUBCJ-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
1.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM126078
Similarity: 0.975
Similarity to MM126078
| Tanimoto metric | 0.975 |
|---|---|
| Cosine metric | 0.9874 |
| Dice metric | 0.9873 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215118
Similarity: 0.8667
Similarity to MM215118
| Tanimoto metric | 0.8667 |
|---|---|
| Cosine metric | 0.9296 |
| Dice metric | 0.9286 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125875
Similarity: 0.8
Similarity to MM125875
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+427 more
