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DocumentationIdentifier: MM334443
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM334443 |
| SMILES |
C=CC(=O)NC(C=C)=CC
|
| InChIKey |
SXQQYFQJPCXRNO-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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MM150536
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Similarity to MM150536
| Tanimoto metric | 0.8095 |
|---|---|
| Cosine metric | 0.8997 |
| Dice metric | 0.8947 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7857 |
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| Cosine metric | 0.8864 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM273847
Similarity: 0.731
Similarity to MM273847
| Tanimoto metric | 0.731 |
|---|---|
| Cosine metric | 0.8446 |
| Dice metric | 0.8446 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+294 more
