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DocumentationIdentifier: MM343577
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM343577 |
| SMILES |
CC(C)COC1(CN)CC1
|
| InChIKey |
LNSIEECWIVBBRR-UHFFFAOYSA-N
|
| MW [Da] |
143.23
Automatically obtained from RDkit software. |
| LogP |
1.15
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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| Tanimoto metric | 0.9024 |
|---|---|
| Cosine metric | 0.95 |
| Dice metric | 0.9487 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8409 |
|---|---|
| Cosine metric | 0.9136 |
| Dice metric | 0.9136 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM340728
Similarity: 0.8284
Similarity to MM340728
| Tanimoto metric | 0.8284 |
|---|---|
| Cosine metric | 0.9061 |
| Dice metric | 0.9061 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+304 more
