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DocumentationIdentifier: MM376634
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376634 |
| SMILES |
C=CC(C)C(C=O)CCC
|
| InChIKey |
GBPNQHYQANBCRI-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM376630
Similarity: 0.8316
Similarity to MM376630
| Tanimoto metric | 0.8316 |
|---|---|
| Cosine metric | 0.908 |
| Dice metric | 0.908 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM376504
Similarity: 0.8132
Similarity to MM376504
| Tanimoto metric | 0.8132 |
|---|---|
| Cosine metric | 0.8983 |
| Dice metric | 0.897 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196977
Similarity: 0.8046
Similarity to MM196977
| Tanimoto metric | 0.8046 |
|---|---|
| Cosine metric | 0.897 |
| Dice metric | 0.8917 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+661 more
