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DocumentationIdentifier: MM456678
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456678 |
| SMILES |
CCC(=COC1CC1)CC
|
| InChIKey |
IMNWVWDLEJACER-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM209675
Similarity: 0.9121
Similarity to MM209675
| Tanimoto metric | 0.9121 |
|---|---|
| Cosine metric | 0.955 |
| Dice metric | 0.954 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM435801
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Similarity to MM435801
| Tanimoto metric | 0.7757 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8737 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM456755
Similarity: 0.7217
Similarity to MM456755
| Tanimoto metric | 0.7217 |
|---|---|
| Cosine metric | 0.8411 |
| Dice metric | 0.8384 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+153 more
