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DocumentationIdentifier: MM412230
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM412230 |
| SMILES |
C=CCOCC(=CC)CN
|
| InChIKey |
OIVCZGAVSXHTRV-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199788
Similarity: 0.9111
Similarity to MM199788
| Tanimoto metric | 0.9111 |
|---|---|
| Cosine metric | 0.9545 |
| Dice metric | 0.9535 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM410445
Similarity: 0.8571
Similarity to MM410445
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9231 |
| Dice metric | 0.9231 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM341829
Similarity: 0.781
Similarity to MM341829
| Tanimoto metric | 0.781 |
|---|---|
| Cosine metric | 0.8776 |
| Dice metric | 0.877 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+380 more
