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DocumentationIdentifier: MM430857
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM430857 |
| SMILES |
C#CC1(C)CN1CC(C)=O
|
| InChIKey |
JABGQSFBOKRHOY-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM354086
Similarity: 0.801
Similarity to MM354086
| Tanimoto metric | 0.801 |
|---|---|
| Cosine metric | 0.895 |
| Dice metric | 0.8895 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM177320
Similarity: 0.7398
Similarity to MM177320
| Tanimoto metric | 0.7398 |
|---|---|
| Cosine metric | 0.8601 |
| Dice metric | 0.8504 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346284
Similarity: 0.7333
Similarity to MM346284
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8487 |
| Dice metric | 0.8462 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+100 more
