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DocumentationIdentifier: MM406272
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406272 |
| SMILES |
C=CC(CN)OC=CCC
|
| InChIKey |
MCQUDUYTFRERIN-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199536
Similarity: 0.8681
Similarity to MM199536
| Tanimoto metric | 0.8681 |
|---|---|
| Cosine metric | 0.9317 |
| Dice metric | 0.9294 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406570
Similarity: 0.7843
Similarity to MM406570
| Tanimoto metric | 0.7843 |
|---|---|
| Cosine metric | 0.8791 |
| Dice metric | 0.8791 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406274
Similarity: 0.767
Similarity to MM406274
| Tanimoto metric | 0.767 |
|---|---|
| Cosine metric | 0.8681 |
| Dice metric | 0.8681 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+616 more
