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DocumentationIdentifier: MM390831
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM390831 |
| SMILES |
C#CC(=O)C1NC1C=CC
|
| InChIKey |
JBDCVZHHYDWZQY-UHFFFAOYSA-N
|
| MW [Da] |
135.17
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
MM392035
Similarity: 0.8515
Similarity to MM392035
| Tanimoto metric | 0.8515 |
|---|---|
| Cosine metric | 0.9228 |
| Dice metric | 0.9198 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM411120
Similarity: 0.6566
Similarity to MM411120
| Tanimoto metric | 0.6566 |
|---|---|
| Cosine metric | 0.7935 |
| Dice metric | 0.7927 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM460993
Similarity: 0.6341
Similarity to MM460993
| Tanimoto metric | 0.6341 |
|---|---|
| Cosine metric | 0.7761 |
| Dice metric | 0.7761 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+88 more
