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DocumentationIdentifier: MM34102
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM34102 |
| SMILES |
CC=CC(=O)CCO
|
| InChIKey |
TZOOVSLZUHDYNM-UHFFFAOYSA-N
|
| MW [Da] |
114.14
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157922
Similarity: 0.8732
Similarity to MM157922
| Tanimoto metric | 0.8732 |
|---|---|
| Cosine metric | 0.9345 |
| Dice metric | 0.9323 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46715
Similarity: 0.8611
Similarity to MM46715
| Tanimoto metric | 0.8611 |
|---|---|
| Cosine metric | 0.928 |
| Dice metric | 0.9254 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46714
Similarity: 0.8052
Similarity to MM46714
| Tanimoto metric | 0.8052 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.8921 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+765 more
