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DocumentationIdentifier: MM80465
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80465 |
| SMILES |
C#CC(C)OC(C=O)=CN
|
| InChIKey |
GMPUSBQOPFIPGA-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142501
Similarity: 0.7459
Similarity to MM142501
| Tanimoto metric | 0.7459 |
|---|---|
| Cosine metric | 0.8637 |
| Dice metric | 0.8545 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54883
Similarity: 0.7213
Similarity to MM54883
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.8381 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150314
Similarity: 0.7213
Similarity to MM150314
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8493 |
| Dice metric | 0.8381 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+236 more
