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DocumentationIdentifier: MM248176
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM248176 |
| SMILES |
NC(=O)C(F)=CC(=O)CF
|
| InChIKey |
NMHTZWLMAFEHKJ-UHFFFAOYSA-N
|
| MW [Da] |
149.1
Automatically obtained from RDkit software. |
| LogP |
-0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM270564
Similarity: 0.6393
Similarity to MM270564
| Tanimoto metric | 0.6393 |
|---|---|
| Cosine metric | 0.7801 |
| Dice metric | 0.78 |
| MW: | 149.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM287965
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| Cosine metric | 0.7609 |
| Dice metric | 0.7333 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM254445
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| Tanimoto metric | 0.5505 |
|---|---|
| Cosine metric | 0.7137 |
| Dice metric | 0.7101 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+14 more
