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DocumentationIdentifier: MM266927
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM266927 |
| SMILES |
CC(O)CN1CC1C#N
|
| InChIKey |
WMUZFXYEVZKIOB-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
-0.43
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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MM288372
Similarity: 0.7376
Similarity to MM288372
| Tanimoto metric | 0.7376 |
|---|---|
| Cosine metric | 0.8588 |
| Dice metric | 0.849 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266714
Similarity: 0.7194
Similarity to MM266714
| Tanimoto metric | 0.7194 |
|---|---|
| Cosine metric | 0.8482 |
| Dice metric | 0.8368 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM127796
Similarity: 0.6525
Similarity to MM127796
| Tanimoto metric | 0.6525 |
|---|---|
| Cosine metric | 0.8078 |
| Dice metric | 0.7897 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+120 more
