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DocumentationIdentifier: MM264326
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264326 |
| SMILES |
C=C(C=CF)OC(C)CN
|
| InChIKey |
PQBQDRFGMUECHZ-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.35
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 | 0.7928 |
|---|---|
| Cosine metric | 0.8904 |
| Dice metric | 0.8844 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6567 |
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| Dice metric | 0.7928 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.44 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM329760
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Similarity to MM329760
| Tanimoto metric | 0.6377 |
|---|---|
| Cosine metric | 0.7789 |
| Dice metric | 0.7788 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+350 more
