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DocumentationIdentifier: MM235055
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235055 |
| SMILES |
CC(C)C(C)(O)CCC=O
|
| InChIKey |
DMGLEAQEGSPBBB-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
MM138200
Similarity: 0.7717
Similarity to MM138200
| Tanimoto metric | 0.7717 |
|---|---|
| Cosine metric | 0.8785 |
| Dice metric | 0.8712 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM446743
Similarity: 0.7283
Similarity to MM446743
| Tanimoto metric | 0.7283 |
|---|---|
| Cosine metric | 0.8534 |
| Dice metric | 0.8428 |
| MW: | 130.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM307959
Similarity: 0.7245
Similarity to MM307959
| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.8436 |
| Dice metric | 0.8402 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+263 more
