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DocumentationIdentifier: MM242681
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242681 |
| SMILES |
CC#CC(=O)C(C)(C)CO
|
| InChIKey |
PMUBERWAPAJAAA-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM41665
Similarity: 0.7931
Similarity to MM41665
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM413632
Similarity: 0.7244
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| Tanimoto metric | 0.7244 |
|---|---|
| Cosine metric | 0.8417 |
| Dice metric | 0.8402 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358747
Similarity: 0.7244
Similarity to MM358747
| Tanimoto metric | 0.7244 |
|---|---|
| Cosine metric | 0.8417 |
| Dice metric | 0.8402 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+351 more
