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DocumentationIdentifier: MM260421
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM260421 |
| SMILES |
CC(C)=COCC(C)CO
|
| InChIKey |
NAFMNROCKVVGGO-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.56
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM167173
Similarity: 0.8529
Similarity to MM167173
| Tanimoto metric | 0.8529 |
|---|---|
| Cosine metric | 0.9235 |
| Dice metric | 0.9206 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM154842
Similarity: 0.7794
Similarity to MM154842
| Tanimoto metric | 0.7794 |
|---|---|
| Cosine metric | 0.8828 |
| Dice metric | 0.876 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67687
Similarity: 0.716
Similarity to MM67687
| Tanimoto metric | 0.716 |
|---|---|
| Cosine metric | 0.8347 |
| Dice metric | 0.8345 |
| MW: | 145.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+1028 more
