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DocumentationIdentifier: MM223811
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223811 |
| SMILES |
COC(=O)C(O)C(C)(C)O
|
| InChIKey |
GHWRZRNYIIZFRP-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-0.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.7081 |
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| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.8 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM349556
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| Tanimoto metric | 0.6503 |
|---|---|
| Cosine metric | 0.7898 |
| Dice metric | 0.7881 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+162 more
