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DocumentationIdentifier: MM401401
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM401401 |
| SMILES |
C#CC(=O)C1NC1C#CC
|
| InChIKey |
IDDCLSXFRUWDEL-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
-0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM401590
Similarity: 0.8333
Similarity to MM401590
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 119.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM394550
Similarity: 0.8194
Similarity to MM394550
| Tanimoto metric | 0.8194 |
|---|---|
| Cosine metric | 0.9052 |
| Dice metric | 0.9008 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM461052
Similarity: 0.6642
Similarity to MM461052
| Tanimoto metric | 0.6642 |
|---|---|
| Cosine metric | 0.7986 |
| Dice metric | 0.7982 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+83 more
