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DocumentationIdentifier: MM367095
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM367095 |
| SMILES |
NCCCC=CC(F)=CF
|
| InChIKey |
RZRJKPGEJRASBC-UHFFFAOYSA-N
|
| MW [Da] |
147.17
Automatically obtained from RDkit software. |
| LogP |
2.06
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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MM170316
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| Tanimoto metric | 0.8353 |
|---|---|
| Cosine metric | 0.9139 |
| Dice metric | 0.9103 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7765 |
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| Cosine metric | 0.8812 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM367093
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Similarity to MM367093
| Tanimoto metric | 0.7474 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8554 |
| MW: | 146.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+557 more
