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DocumentationIdentifier: MM423551
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM423551 |
| SMILES |
C=CC(C=C)=C(C)NC=O
|
| InChIKey |
QDQUSKBDMUJLBT-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.38
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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MM175908
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Similarity to MM175908
| Tanimoto metric | 0.8952 |
|---|---|
| Cosine metric | 0.9462 |
| Dice metric | 0.9447 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM297277
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| Tanimoto metric | 0.709 |
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| Cosine metric | 0.8326 |
| Dice metric | 0.8297 |
| MW: | 143.16 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM385056
Similarity: 0.6835
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| Tanimoto metric | 0.6835 |
|---|---|
| Cosine metric | 0.8163 |
| Dice metric | 0.812 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+53 more
