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DocumentationIdentifier: MM172501
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172501 |
| SMILES |
C=C(CF)C(C)CC=O
|
| InChIKey |
LHVQYTDFGRUHTI-UHFFFAOYSA-N
|
| MW [Da] |
130.16
Automatically obtained from RDkit software. |
| LogP |
1.74
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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MM298250
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| Tanimoto metric | 0.7739 |
|---|---|
| Cosine metric | 0.8797 |
| Dice metric | 0.8725 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7607 |
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| Cosine metric | 0.8722 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM377540
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Similarity to MM377540
| Tanimoto metric | 0.7417 |
|---|---|
| Cosine metric | 0.8612 |
| Dice metric | 0.8517 |
| MW: | 148.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+523 more
