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DocumentationIdentifier: MM197458
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197458 |
| SMILES |
C=CC(C=O)C(=C)CC
|
| InChIKey |
YADHHGSKVMVLGG-UHFFFAOYSA-N
|
| MW [Da] |
124.18
Automatically obtained from RDkit software. |
| LogP |
1.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM410756
Similarity: 0.8544
Similarity to MM410756
| Tanimoto metric | 0.8544 |
|---|---|
| Cosine metric | 0.9243 |
| Dice metric | 0.9215 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM410762
Similarity: 0.8462
Similarity to MM410762
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9199 |
| Dice metric | 0.9167 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM410768
Similarity: 0.7395
Similarity to MM410768
| Tanimoto metric | 0.7395 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8502 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+289 more
