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DocumentationIdentifier: MM243198
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243198 |
| SMILES |
C=CCC(O)(C=O)CC=C
|
| InChIKey |
YVPJHQJQMBMYKL-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM310004
Similarity: 0.7419
Similarity to MM310004
| Tanimoto metric | 0.7419 |
|---|---|
| Cosine metric | 0.8555 |
| Dice metric | 0.8519 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243199
Similarity: 0.7188
Similarity to MM243199
| Tanimoto metric | 0.7188 |
|---|---|
| Cosine metric | 0.8414 |
| Dice metric | 0.8364 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28566
Similarity: 0.7143
Similarity to MM28566
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+394 more
