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DocumentationIdentifier: MM263027
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM263027 |
| SMILES |
C=C(CC)CC(=O)CCC
|
| InChIKey |
CMNNAQATERBOCQ-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
MM142524
Similarity: 0.9114
Similarity to MM142524
| Tanimoto metric | 0.9114 |
|---|---|
| Cosine metric | 0.9547 |
| Dice metric | 0.9536 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM263294
Similarity: 0.8837
Similarity to MM263294
| Tanimoto metric | 0.8837 |
|---|---|
| Cosine metric | 0.9386 |
| Dice metric | 0.9383 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM263290
Similarity: 0.7957
Similarity to MM263290
| Tanimoto metric | 0.7957 |
|---|---|
| Cosine metric | 0.8875 |
| Dice metric | 0.8862 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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