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DocumentationIdentifier: MM155165
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155165 |
| SMILES |
CCCOC1CC1(C)C
|
| InChIKey |
PABVAZAYWVCNSW-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
2.21
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 | 0.9286 |
|---|---|
| Cosine metric | 0.9636 |
| Dice metric | 0.963 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.9074 |
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| Cosine metric | 0.9526 |
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| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 1.96 |
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| AI: | 0
Total active interactions
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MM134662
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Similarity to MM134662
| Tanimoto metric | 0.8611 |
|---|---|
| Cosine metric | 0.9257 |
| Dice metric | 0.9254 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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