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DocumentationIdentifier: MM279642
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM279642 |
| SMILES |
CC#CC(C)CNC=NC
|
| InChIKey |
IAJFBUBMMTVYOX-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157509
Similarity: 0.8434
Similarity to MM157509
| Tanimoto metric | 0.8434 |
|---|---|
| Cosine metric | 0.9184 |
| Dice metric | 0.915 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167346
Similarity: 0.8072
Similarity to MM167346
| Tanimoto metric | 0.8072 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8933 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405403
Similarity: 0.7444
Similarity to MM405403
| Tanimoto metric | 0.7444 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8535 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+307 more
