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DocumentationIdentifier: MM53351
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM53351 |
| SMILES |
CCC(CO)C(=O)CO
|
| InChIKey |
VQWDNMRWOIAVDJ-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179786
Similarity: 0.7708
Similarity to MM179786
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.8706 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94386
Similarity: 0.7611
Similarity to MM94386
| Tanimoto metric | 0.7611 |
|---|---|
| Cosine metric | 0.8724 |
| Dice metric | 0.8643 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160341
Similarity: 0.7407
Similarity to MM160341
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8511 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+455 more
