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DocumentationIdentifier: MM357726
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357726 |
| SMILES |
C=C(C=CCC)CCC=O
|
| InChIKey |
SLGZPCLLVLJEPM-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
MM157290
Similarity: 0.9178
Similarity to MM157290
| Tanimoto metric | 0.9178 |
|---|---|
| Cosine metric | 0.958 |
| Dice metric | 0.9571 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357796
Similarity: 0.8313
Similarity to MM357796
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.9086 |
| Dice metric | 0.9079 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357799
Similarity: 0.7701
Similarity to MM357799
| Tanimoto metric | 0.7701 |
|---|---|
| Cosine metric | 0.8713 |
| Dice metric | 0.8701 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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