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DocumentationIdentifier: MM228972
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228972 |
| SMILES |
COC(C)(CN)CC(C)C
|
| InChIKey |
FSULTYGIVNQHNM-UHFFFAOYSA-N
|
| MW [Da] |
145.25
Automatically obtained from RDkit software. |
| LogP |
1.4
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 | 0.7248 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8404 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.7244 |
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| Cosine metric | 0.8402 |
| Dice metric | 0.8402 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
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|---|---|---|---|---|---|
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Total active interactions
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MM226079
Similarity: 0.7213
Similarity to MM226079
| Tanimoto metric | 0.7213 |
|---|---|
| Cosine metric | 0.8387 |
| Dice metric | 0.8381 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+247 more
