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DocumentationIdentifier: MM344047
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM344047 |
| SMILES |
C=CN(C=O)C=CC(=C)C
|
| InChIKey |
LDCCURAKBZRVRX-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
1.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145620
Similarity: 0.7872
Similarity to MM145620
| Tanimoto metric | 0.7872 |
|---|---|
| Cosine metric | 0.8873 |
| Dice metric | 0.881 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200834
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Similarity to MM200834
| Tanimoto metric | 0.6915 |
|---|---|
| Cosine metric | 0.8316 |
| Dice metric | 0.8176 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM322111
Similarity: 0.6727
Similarity to MM322111
| Tanimoto metric | 0.6727 |
|---|---|
| Cosine metric | 0.8045 |
| Dice metric | 0.8043 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+156 more
