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DocumentationIdentifier: MM427497
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM427497 |
| SMILES |
C#CC(=O)C1C(C)N1C
|
| InChIKey |
ZPQZLPHIOMDDDA-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
MM429049
Similarity: 0.8685
Similarity to MM429049
| Tanimoto metric | 0.8685 |
|---|---|
| Cosine metric | 0.9319 |
| Dice metric | 0.9296 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306378
Similarity: 0.8583
Similarity to MM306378
| Tanimoto metric | 0.8583 |
|---|---|
| Cosine metric | 0.9264 |
| Dice metric | 0.9237 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM446670
Similarity: 0.845
Similarity to MM446670
| Tanimoto metric | 0.845 |
|---|---|
| Cosine metric | 0.9192 |
| Dice metric | 0.916 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+81 more
