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DocumentationIdentifier: MM221587
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM221587 |
| SMILES |
CC(C)(N)C(O)C=C(F)F
|
| InChIKey |
IPESFJAWGBTQTR-UHFFFAOYSA-N
|
| MW [Da] |
151.16
Automatically obtained from RDkit software. |
| LogP |
0.87
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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MM134086
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| Tanimoto metric | 0.7519 |
|---|---|
| Cosine metric | 0.8671 |
| Dice metric | 0.8584 |
| MW: | 137.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6243 |
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| Cosine metric | 0.7713 |
| Dice metric | 0.7687 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM242464
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Similarity to MM242464
| Tanimoto metric | 0.6149 |
|---|---|
| Cosine metric | 0.7641 |
| Dice metric | 0.7616 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+291 more
