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DocumentationIdentifier: MM417194
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM417194 |
| SMILES |
CC=CCOC(C=O)=CC
|
| InChIKey |
LVCGYFDLNFXFQG-UHFFFAOYSA-N
|
| MW [Da] |
140.18
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
MM200189
Similarity: 0.875
Similarity to MM200189
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM167604
Similarity: 0.7604
Similarity to MM167604
| Tanimoto metric | 0.7604 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.8639 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90095
Similarity: 0.7414
Similarity to MM90095
| Tanimoto metric | 0.7414 |
|---|---|
| Cosine metric | 0.8525 |
| Dice metric | 0.8515 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+296 more
