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DocumentationIdentifier: MM108253
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108253 |
| SMILES |
CC(=O)C(C)CC=O
|
| InChIKey |
GQHWESFTVGVFIA-UHFFFAOYSA-N
|
| MW [Da] |
114.14
Automatically obtained from RDkit software. |
| LogP |
0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM32949
Similarity: 0.75
Similarity to MM32949
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8571 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133694
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Similarity to MM133694
| Tanimoto metric | 0.7463 |
|---|---|
| Cosine metric | 0.8639 |
| Dice metric | 0.8547 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172504
Similarity: 0.7353
Similarity to MM172504
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8575 |
| Dice metric | 0.8475 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+177 more
