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DocumentationIdentifier: MM298815
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298815 |
| SMILES |
C#CCC(C)(C)NC=O
|
| InChIKey |
UHXYJAJNOTZCCV-UHFFFAOYSA-N
|
| MW [Da] |
125.17
Automatically obtained from RDkit software. |
| LogP |
0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM221879
Similarity: 0.7117
Similarity to MM221879
| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8436 |
| Dice metric | 0.8316 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM302132
Similarity: 0.693
Similarity to MM302132
| Tanimoto metric | 0.693 |
|---|---|
| Cosine metric | 0.8325 |
| Dice metric | 0.8187 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM301359
Similarity: 0.6277
Similarity to MM301359
| Tanimoto metric | 0.6277 |
|---|---|
| Cosine metric | 0.7717 |
| Dice metric | 0.7712 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+185 more
