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DocumentationIdentifier: MM417100
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM417100 |
| SMILES |
C=C(C)C(=O)C1NC1(C)C
|
| InChIKey |
NDRLSVJLPWKSLC-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM415176
Similarity: 0.7795
Similarity to MM415176
| Tanimoto metric | 0.7795 |
|---|---|
| Cosine metric | 0.8829 |
| Dice metric | 0.8761 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM439464
Similarity: 0.7376
Similarity to MM439464
| Tanimoto metric | 0.7376 |
|---|---|
| Cosine metric | 0.8589 |
| Dice metric | 0.849 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413030
Similarity: 0.6476
Similarity to MM413030
| Tanimoto metric | 0.6476 |
|---|---|
| Cosine metric | 0.7862 |
| Dice metric | 0.7861 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+15 more
