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DocumentationIdentifier: MM100872
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM100872 |
| SMILES |
CCCC=CC=O
|
| InChIKey |
MBDOYVRWFFCFHM-UHFFFAOYSA-N
|
| MW [Da] |
98.15
Automatically obtained from RDkit software. |
| LogP |
1.54
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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MM126196
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| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9177 |
| Dice metric | 0.9143 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM214033
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| Tanimoto metric | 0.8 |
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| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM126199
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| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+644 more
