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DocumentationIdentifier: MM47466
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47466 |
| SMILES |
C#CC(=O)N(C)C(=C)C
|
| InChIKey |
FKRVDIKPOVHPDR-UHFFFAOYSA-N
|
| MW [Da] |
123.16
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM300097
Similarity: 0.8231
Similarity to MM300097
| Tanimoto metric | 0.8231 |
|---|---|
| Cosine metric | 0.9073 |
| Dice metric | 0.903 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82609
Similarity: 0.8176
Similarity to MM82609
| Tanimoto metric | 0.8176 |
|---|---|
| Cosine metric | 0.9042 |
| Dice metric | 0.8996 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350905
Similarity: 0.7563
Similarity to MM350905
| Tanimoto metric | 0.7563 |
|---|---|
| Cosine metric | 0.8696 |
| Dice metric | 0.8612 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+249 more
