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DocumentationIdentifier: MM175448
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM175448 |
| SMILES |
CCC=C(C)C(=O)CO
|
| InChIKey |
NQIFKHBWPFPEKH-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
0.9
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM90764
Similarity: 0.9174
Similarity to MM90764
| Tanimoto metric | 0.9174 |
|---|---|
| Cosine metric | 0.9578 |
| Dice metric | 0.9569 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360689
Similarity: 0.885
Similarity to MM360689
| Tanimoto metric | 0.885 |
|---|---|
| Cosine metric | 0.9407 |
| Dice metric | 0.939 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90781
Similarity: 0.8197
Similarity to MM90781
| Tanimoto metric | 0.8197 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.9009 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+637 more
