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DocumentationIdentifier: MM215598
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM215598 |
| SMILES |
C=CC=CC=CCOC
|
| InChIKey |
WIBRFFIKJRJYGZ-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 |
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MM126720
Similarity: 0.881
Similarity to MM126720
| Tanimoto metric | 0.881 |
|---|---|
| Cosine metric | 0.9386 |
| Dice metric | 0.9367 |
| MW: | 112.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM215497
Similarity: 0.8409
Similarity to MM215497
| Tanimoto metric | 0.8409 |
|---|---|
| Cosine metric | 0.9142 |
| Dice metric | 0.9136 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM215118
Similarity: 0.7551
Similarity to MM215118
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8605 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+465 more
