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DocumentationIdentifier: MM231996
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231996 |
| SMILES |
CC(C)(C)C(C=O)CCO
|
| InChIKey |
GHDWTTMAGDFQPX-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179688
Similarity: 0.7975
Similarity to MM179688
| Tanimoto metric | 0.7975 |
|---|---|
| Cosine metric | 0.893 |
| Dice metric | 0.8873 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376640
Similarity: 0.6774
Similarity to MM376640
| Tanimoto metric | 0.6774 |
|---|---|
| Cosine metric | 0.8078 |
| Dice metric | 0.8077 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM392545
Similarity: 0.6495
Similarity to MM392545
| Tanimoto metric | 0.6495 |
|---|---|
| Cosine metric | 0.7876 |
| Dice metric | 0.7875 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+259 more
