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DocumentationIdentifier: MM235214
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM235214 |
| SMILES |
C=C(C)C(C)(C)CCC=O
|
| InChIKey |
UJJXTNBNXXTVEW-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162242
Similarity: 0.7742
Similarity to MM162242
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308608
Similarity: 0.7475
Similarity to MM308608
| Tanimoto metric | 0.7475 |
|---|---|
| Cosine metric | 0.8579 |
| Dice metric | 0.8555 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242214
Similarity: 0.6937
Similarity to MM242214
| Tanimoto metric | 0.6937 |
|---|---|
| Cosine metric | 0.8192 |
| Dice metric | 0.8191 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+436 more
