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DocumentationIdentifier: MM448450
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM448450 |
| SMILES |
C=CC=COCCCNC
|
| InChIKey |
ZFQFZMQSMLCLCY-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM213215
Similarity: 0.8676
Similarity to MM213215
| Tanimoto metric | 0.8676 |
|---|---|
| Cosine metric | 0.9315 |
| Dice metric | 0.9291 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM213703
Similarity: 0.8382
Similarity to MM213703
| Tanimoto metric | 0.8382 |
|---|---|
| Cosine metric | 0.9156 |
| Dice metric | 0.912 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94333
Similarity: 0.7763
Similarity to MM94333
| Tanimoto metric | 0.7763 |
|---|---|
| Cosine metric | 0.8741 |
| Dice metric | 0.8741 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+755 more
