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DocumentationIdentifier: MM434221
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM434221 |
| SMILES |
C=CCC(=C)COC1CC1
|
| InChIKey |
DCTGSFYXCYKXPA-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM209121
Similarity: 0.8529
Similarity to MM209121
| Tanimoto metric | 0.8529 |
|---|---|
| Cosine metric | 0.9235 |
| Dice metric | 0.9206 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM419222
Similarity: 0.7008
Similarity to MM419222
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8253 |
| Dice metric | 0.8241 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156384
Similarity: 0.6863
Similarity to MM156384
| Tanimoto metric | 0.6863 |
|---|---|
| Cosine metric | 0.8284 |
| Dice metric | 0.814 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+297 more
