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DocumentationIdentifier: MM114100
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114100 |
| SMILES |
C=CC(O)C=CCC
|
| InChIKey |
IFCFKGAXRCTGGO-UHFFFAOYSA-N
|
| MW [Da] |
112.17
Automatically obtained from RDkit software. |
| LogP |
1.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM169678
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Similarity to MM169678
| Tanimoto metric | 0.8846 |
|---|---|
| Cosine metric | 0.9405 |
| Dice metric | 0.9388 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM323032
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| Tanimoto metric | 0.8846 |
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| Cosine metric | 0.9405 |
| Dice metric | 0.9388 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.89 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM169596
Similarity: 0.807
Similarity to MM169596
| Tanimoto metric | 0.807 |
|---|---|
| Cosine metric | 0.8983 |
| Dice metric | 0.8932 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+748 more
