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DocumentationIdentifier: MM280059
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280059 |
| SMILES |
CCOC(=O)CC=CCF
|
| InChIKey |
KYFHIDRMXCCZIZ-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.47
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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MM168483
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| Tanimoto metric | 0.8351 |
|---|---|
| Cosine metric | 0.9138 |
| Dice metric | 0.9101 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8144 |
|---|---|
| Cosine metric | 0.9025 |
| Dice metric | 0.8977 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM356679
Similarity: 0.7411
Similarity to MM356679
| Tanimoto metric | 0.7411 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8513 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+274 more
