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DocumentationIdentifier: MM225715
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225715 |
| SMILES |
CCC(C)(O)C(=O)C(C)C
|
| InChIKey |
PLGAUYJZBVQSLG-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM223877
Similarity: 0.7852
Similarity to MM223877
| Tanimoto metric | 0.7852 |
|---|---|
| Cosine metric | 0.8797 |
| Dice metric | 0.8797 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57368
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| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8642 |
| Dice metric | 0.8642 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM233329
Similarity: 0.7338
Similarity to MM233329
| Tanimoto metric | 0.7338 |
|---|---|
| Cosine metric | 0.8465 |
| Dice metric | 0.8465 |
| MW: | 144.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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