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DocumentationIdentifier: MM270093
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM270093 |
| SMILES |
C=CC(=C)C(N)C=C(F)F
|
| InChIKey |
JXEAPDIANNQJFV-UHFFFAOYSA-N
|
| MW [Da] |
145.15
Automatically obtained from RDkit software. |
| LogP |
1.84
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 | 0.7949 |
|---|---|
| Cosine metric | 0.8916 |
| Dice metric | 0.8857 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7778 |
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| Cosine metric | 0.8819 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.67 |
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|---|---|---|---|---|---|
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Total active interactions
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MM295610
Similarity: 0.7231
Similarity to MM295610
| Tanimoto metric | 0.7231 |
|---|---|
| Cosine metric | 0.8401 |
| Dice metric | 0.8393 |
| MW: | 145.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+100 more
