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DocumentationIdentifier: MM246251
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM246251 |
| SMILES |
CCC(=O)CC(=O)C(C)C
|
| InChIKey |
VVALZQWOQKHDIM-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.58
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM350032
Similarity: 0.6818
Similarity to MM350032
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8127 |
| Dice metric | 0.8108 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269409
Similarity: 0.6774
Similarity to MM269409
| Tanimoto metric | 0.6774 |
|---|---|
| Cosine metric | 0.8131 |
| Dice metric | 0.8077 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142530
Similarity: 0.6522
Similarity to MM142530
| Tanimoto metric | 0.6522 |
|---|---|
| Cosine metric | 0.8076 |
| Dice metric | 0.7895 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+42 more
