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DocumentationIdentifier: MM231525
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231525 |
| SMILES |
CC#CCC(=O)C(C)(C)O
|
| InChIKey |
AWYRBDPPBYPYCA-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40318
Similarity: 0.8235
Similarity to MM40318
| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9075 |
| Dice metric | 0.9032 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM163093
Similarity: 0.7479
Similarity to MM163093
| Tanimoto metric | 0.7479 |
|---|---|
| Cosine metric | 0.8648 |
| Dice metric | 0.8558 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305447
Similarity: 0.687
Similarity to MM305447
| Tanimoto metric | 0.687 |
|---|---|
| Cosine metric | 0.8169 |
| Dice metric | 0.8145 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
