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DocumentationIdentifier: MM313999
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313999 |
| SMILES |
CCC(=O)OC(C)C(=O)O
|
| InChIKey |
IIXDEBPBOJRJKB-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM378566
Similarity: 0.7103
Similarity to MM378566
| Tanimoto metric | 0.7103 |
|---|---|
| Cosine metric | 0.8308 |
| Dice metric | 0.8306 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388601
Similarity: 0.6846
Similarity to MM388601
| Tanimoto metric | 0.6846 |
|---|---|
| Cosine metric | 0.8128 |
| Dice metric | 0.8127 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317352
Similarity: 0.6349
Similarity to MM317352
| Tanimoto metric | 0.6349 |
|---|---|
| Cosine metric | 0.7968 |
| Dice metric | 0.7767 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+17 more
