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DocumentationIdentifier: MM242299
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242299 |
| SMILES |
C#CCC(=O)C(C)(C)CC
|
| InChIKey |
ZDTKIPLZDCHGTH-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173212
Similarity: 0.7708
Similarity to MM173212
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8706 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137765
Similarity: 0.7083
Similarity to MM137765
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8293 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132164
Similarity: 0.6875
Similarity to MM132164
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8292 |
| Dice metric | 0.8148 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+294 more
