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DocumentationIdentifier: MM406152
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406152 |
| SMILES |
CCC(C=O)CC=COC
|
| InChIKey |
TUHHKGCWLKFMJX-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM372863
Similarity: 0.7222
Similarity to MM372863
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8396 |
| Dice metric | 0.8387 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM372704
Similarity: 0.6957
Similarity to MM372704
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8211 |
| Dice metric | 0.8205 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM279862
Similarity: 0.6848
Similarity to MM279862
| Tanimoto metric | 0.6848 |
|---|---|
| Cosine metric | 0.8137 |
| Dice metric | 0.8129 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+523 more
