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DocumentationIdentifier: MM317964
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317964 |
| SMILES |
C=CC(=O)CCC(O)C=O
|
| InChIKey |
QFJJFSHPHWMRNH-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM317028
Similarity: 0.7568
Similarity to MM317028
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8616 |
| Dice metric | 0.8615 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317962
Similarity: 0.7168
Similarity to MM317962
| Tanimoto metric | 0.7168 |
|---|---|
| Cosine metric | 0.8352 |
| Dice metric | 0.8351 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144417
Similarity: 0.7071
Similarity to MM144417
| Tanimoto metric | 0.7071 |
|---|---|
| Cosine metric | 0.8409 |
| Dice metric | 0.8284 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+357 more
