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DocumentationIdentifier: MM225749
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225749 |
| SMILES |
C=CC(C)(O)C(=O)C(C)C
|
| InChIKey |
NHQUOGGRIUVFGR-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM223911
Similarity: 0.7582
Similarity to MM223911
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8625 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225750
Similarity: 0.7314
Similarity to MM225750
| Tanimoto metric | 0.7314 |
|---|---|
| Cosine metric | 0.8478 |
| Dice metric | 0.8449 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47502
Similarity: 0.6978
Similarity to MM47502
| Tanimoto metric | 0.6978 |
|---|---|
| Cosine metric | 0.8354 |
| Dice metric | 0.822 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+193 more
