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DocumentationIdentifier: MM228751
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM228751 |
| SMILES |
COC(C)(C)CC=C(F)F
|
| InChIKey |
UJZMNFWRKIMAGB-UHFFFAOYSA-N
|
| MW [Da] |
150.17
Automatically obtained from RDkit software. |
| LogP |
2.58
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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MM138593
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| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7579 |
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| Cosine metric | 0.8706 |
| Dice metric | 0.8623 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM146304
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| Tanimoto metric | 0.7579 |
|---|---|
| Cosine metric | 0.8706 |
| Dice metric | 0.8623 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+539 more
