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DocumentationIdentifier: MM292250
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292250 |
| SMILES |
C=CCCCC(=C)CC=O
|
| InChIKey |
UZTDWHBPYHNVLB-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156372
Similarity: 0.8923
Similarity to MM156372
| Tanimoto metric | 0.8923 |
|---|---|
| Cosine metric | 0.9446 |
| Dice metric | 0.9431 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292037
Similarity: 0.8696
Similarity to MM292037
| Tanimoto metric | 0.8696 |
|---|---|
| Cosine metric | 0.9303 |
| Dice metric | 0.9302 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292252
Similarity: 0.8406
Similarity to MM292252
| Tanimoto metric | 0.8406 |
|---|---|
| Cosine metric | 0.9136 |
| Dice metric | 0.9134 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+390 more
