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DocumentationIdentifier: MM261639
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261639 |
| SMILES |
C=CCC(F)CC(C)C=O
|
| InChIKey |
PBZJTDXLMLOZHN-UHFFFAOYSA-N
|
| MW [Da] |
144.19
Automatically obtained from RDkit software. |
| LogP |
2.13
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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MM141658
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Similarity to MM141658
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM155932
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| Tanimoto metric | 0.7083 |
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| Cosine metric | 0.8416 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.88 |
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| AI: | 0
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MM327722
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Similarity to MM327722
| Tanimoto metric | 0.6792 |
|---|---|
| Cosine metric | 0.8115 |
| Dice metric | 0.809 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+560 more
