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DocumentationIdentifier: MM222036
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM222036 |
| SMILES |
CC(O)CC(C)(O)C(C)C
|
| InChIKey |
UPZJPQJUBMOPKQ-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130599
Similarity: 0.7353
Similarity to MM130599
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8575 |
| Dice metric | 0.8475 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225983
Similarity: 0.7156
Similarity to MM225983
| Tanimoto metric | 0.7156 |
|---|---|
| Cosine metric | 0.8377 |
| Dice metric | 0.8342 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM220591
Similarity: 0.7
Similarity to MM220591
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.827 |
| Dice metric | 0.8235 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+418 more
