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DocumentationIdentifier: MM343459
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM343459 |
| SMILES |
CC(CCO)C1(C)CC1
|
| InChIKey |
QXRGNZFYPVJUTB-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
1.81
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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MM115670
Similarity: 0.75
Similarity to MM115670
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM374035
Similarity: 0.7396
Similarity to MM374035
| Tanimoto metric | 0.7396 |
|---|---|
| Cosine metric | 0.851 |
| Dice metric | 0.8503 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM343342
Similarity: 0.7375
Similarity to MM343342
| Tanimoto metric | 0.7375 |
|---|---|
| Cosine metric | 0.8588 |
| Dice metric | 0.8489 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+542 more
