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DocumentationIdentifier: MM463206
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM463206 |
| SMILES |
O=C(CO)CCN1CC1
|
| InChIKey |
BBABBLFDPGPKKF-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM432775
Similarity: 0.75
Similarity to MM432775
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM450504
Similarity: 0.6486
Similarity to MM450504
| Tanimoto metric | 0.6486 |
|---|---|
| Cosine metric | 0.7878 |
| Dice metric | 0.7869 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298421
Similarity: 0.6033
Similarity to MM298421
| Tanimoto metric | 0.6033 |
|---|---|
| Cosine metric | 0.7526 |
| Dice metric | 0.7526 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+44 more
