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DocumentationIdentifier: MM126078
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM126078 |
| SMILES |
C=CC=CCOCC
|
| InChIKey |
FYFRTVKXHWMBDL-UHFFFAOYSA-N
|
| MW [Da] |
112.17
Automatically obtained from RDkit software. |
| LogP |
1.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM213851
Similarity: 0.975
Similarity to MM213851
| Tanimoto metric | 0.975 |
|---|---|
| Cosine metric | 0.9874 |
| Dice metric | 0.9873 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215118
Similarity: 0.8864
Similarity to MM215118
| Tanimoto metric | 0.8864 |
|---|---|
| Cosine metric | 0.9415 |
| Dice metric | 0.9398 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213678
Similarity: 0.7959
Similarity to MM213678
| Tanimoto metric | 0.7959 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8864 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+549 more
