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DocumentationIdentifier: MM439855
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM439855 |
| SMILES |
C#CC1CN1CC(C)=O
|
| InChIKey |
UVZZKUZBEPSQKH-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
-0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM440358
Similarity: 0.8443
Similarity to MM440358
| Tanimoto metric | 0.8443 |
|---|---|
| Cosine metric | 0.9189 |
| Dice metric | 0.9156 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355243
Similarity: 0.7518
Similarity to MM355243
| Tanimoto metric | 0.7518 |
|---|---|
| Cosine metric | 0.867 |
| Dice metric | 0.8583 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM430857
Similarity: 0.7194
Similarity to MM430857
| Tanimoto metric | 0.7194 |
|---|---|
| Cosine metric | 0.8482 |
| Dice metric | 0.8368 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+189 more
