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DocumentationIdentifier: MM242135
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM242135 |
| SMILES |
CCCC(=O)C(C)(C)CO
|
| InChIKey |
DMMWXOQLWAYPFK-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137766
Similarity: 0.8119
Similarity to MM137766
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8962 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231340
Similarity: 0.6636
Similarity to MM231340
| Tanimoto metric | 0.6636 |
|---|---|
| Cosine metric | 0.8051 |
| Dice metric | 0.7978 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM84872
Similarity: 0.6364
Similarity to MM84872
| Tanimoto metric | 0.6364 |
|---|---|
| Cosine metric | 0.7779 |
| Dice metric | 0.7778 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+225 more
