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DocumentationIdentifier: MM456818
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456818 |
| SMILES |
OCCOC=CC=CCF
|
| InChIKey |
UHEAFUDKUPWBKS-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM215141
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Similarity to MM215141
| Tanimoto metric | 0.791 |
|---|---|
| Cosine metric | 0.8894 |
| Dice metric | 0.8833 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM456935
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| Tanimoto metric | 0.7361 |
|---|---|
| Cosine metric | 0.8502 |
| Dice metric | 0.848 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM452038
Similarity: 0.726
Similarity to MM452038
| Tanimoto metric | 0.726 |
|---|---|
| Cosine metric | 0.843 |
| Dice metric | 0.8413 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+409 more
