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DocumentationIdentifier: MM318624
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM318624 |
| SMILES |
C=C(CC)CCC(=O)CC
|
| InChIKey |
PIZJRYQHZAQFSW-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM251033
Similarity: 0.8415
Similarity to MM251033
| Tanimoto metric | 0.8415 |
|---|---|
| Cosine metric | 0.9155 |
| Dice metric | 0.9139 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251041
Similarity: 0.8395
Similarity to MM251041
| Tanimoto metric | 0.8395 |
|---|---|
| Cosine metric | 0.9152 |
| Dice metric | 0.9128 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM144798
Similarity: 0.8375
Similarity to MM144798
| Tanimoto metric | 0.8375 |
|---|---|
| Cosine metric | 0.9152 |
| Dice metric | 0.9116 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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