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DocumentationIdentifier: MM451693
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM451693 |
| SMILES |
C=CCCCC=COC=C
|
| InChIKey |
LIZYSKYRYGAVRM-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
3.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM214793
Similarity: 0.9216
Similarity to MM214793
| Tanimoto metric | 0.9216 |
|---|---|
| Cosine metric | 0.96 |
| Dice metric | 0.9592 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125984
Similarity: 0.7843
Similarity to MM125984
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.8791 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM332859
Similarity: 0.7742
Similarity to MM332859
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.8727 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+579 more
