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DocumentationIdentifier: MM381083
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381083 |
| SMILES |
CC=C(CCC)C(O)C=O
|
| InChIKey |
YKUQZMKGDLXYFX-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173234
Similarity: 0.7239
Similarity to MM173234
| Tanimoto metric | 0.7239 |
|---|---|
| Cosine metric | 0.8508 |
| Dice metric | 0.8398 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM95427
Similarity: 0.7197
Similarity to MM95427
| Tanimoto metric | 0.7197 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.837 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381290
Similarity: 0.7133
Similarity to MM381290
| Tanimoto metric | 0.7133 |
|---|---|
| Cosine metric | 0.8334 |
| Dice metric | 0.8327 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+199 more
