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DocumentationIdentifier: MM415176
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM415176 |
| SMILES |
C=C(C)C(=O)C1NC1C
|
| InChIKey |
CABUKJZWNZPRQL-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM417100
Similarity: 0.7795
Similarity to MM417100
| Tanimoto metric | 0.7795 |
|---|---|
| Cosine metric | 0.8829 |
| Dice metric | 0.8761 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM429359
Similarity: 0.6927
Similarity to MM429359
| Tanimoto metric | 0.6927 |
|---|---|
| Cosine metric | 0.8323 |
| Dice metric | 0.8184 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM410657
Similarity: 0.6608
Similarity to MM410657
| Tanimoto metric | 0.6608 |
|---|---|
| Cosine metric | 0.7988 |
| Dice metric | 0.7958 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+39 more
