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DocumentationIdentifier: MM440650
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM440650 |
| SMILES |
CC=COC1CC1CCO
|
| InChIKey |
QEPRKOYIWKAOGI-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM216916
Similarity: 0.8382
Similarity to MM216916
| Tanimoto metric | 0.8382 |
|---|---|
| Cosine metric | 0.9156 |
| Dice metric | 0.912 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447601
Similarity: 0.755
Similarity to MM447601
| Tanimoto metric | 0.755 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8604 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM447569
Similarity: 0.75
Similarity to MM447569
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8574 |
| Dice metric | 0.8571 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+369 more
