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DocumentationIdentifier: MM435398
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM435398 |
| SMILES |
C#CC(C=O)N1C(C)C1C
|
| InChIKey |
IFZAZIGKUGKZJH-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
MM440465
Similarity: 0.7807
Similarity to MM440465
| Tanimoto metric | 0.7807 |
|---|---|
| Cosine metric | 0.8775 |
| Dice metric | 0.8769 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM417805
Similarity: 0.7433
Similarity to MM417805
| Tanimoto metric | 0.7433 |
|---|---|
| Cosine metric | 0.8529 |
| Dice metric | 0.8528 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365093
Similarity: 0.738
Similarity to MM365093
| Tanimoto metric | 0.738 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.8492 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+220 more
