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DocumentationIdentifier: MM357101
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357101 |
| SMILES |
C=CC(=C)C(=O)C=CCC
|
| InChIKey |
YKQLLVRPTDXDNV-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
2.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163421
Similarity: 0.7767
Similarity to MM163421
| Tanimoto metric | 0.7767 |
|---|---|
| Cosine metric | 0.8813 |
| Dice metric | 0.8743 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174517
Similarity: 0.7545
Similarity to MM174517
| Tanimoto metric | 0.7545 |
|---|---|
| Cosine metric | 0.8621 |
| Dice metric | 0.8601 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293332
Similarity: 0.7523
Similarity to MM293332
| Tanimoto metric | 0.7523 |
|---|---|
| Cosine metric | 0.8613 |
| Dice metric | 0.8586 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
