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DocumentationIdentifier: MM223865
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223865 |
| SMILES |
CC(CO)C(=O)C(C)(C)C
|
| InChIKey |
SSKBRYOEAYVUGR-UHFFFAOYSA-N
|
| MW [Da] |
144.21
Automatically obtained from RDkit software. |
| LogP |
1.23
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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MM160782
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| Tanimoto metric | 0.8118 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8961 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7579 |
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| Cosine metric | 0.8624 |
| Dice metric | 0.8623 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM35474
Similarity: 0.7059
Similarity to MM35474
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8402 |
| Dice metric | 0.8276 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+345 more
