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DocumentationIdentifier: MM75591
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75591 |
| SMILES |
CC#CC(C)(C=O)C(=N)N
|
| InChIKey |
ANAVHZCLQLWTFP-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM76098
Similarity: 0.7554
Similarity to MM76098
| Tanimoto metric | 0.7554 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.8607 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180271
Similarity: 0.7338
Similarity to MM180271
| Tanimoto metric | 0.7338 |
|---|---|
| Cosine metric | 0.8566 |
| Dice metric | 0.8465 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69906
Similarity: 0.6688
Similarity to MM69906
| Tanimoto metric | 0.6688 |
|---|---|
| Cosine metric | 0.803 |
| Dice metric | 0.8015 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+80 more
