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DocumentationIdentifier: MM274203
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274203 |
| SMILES |
CC(C)=CC(=CCO)CN
|
| InChIKey |
BFXQPNATGHHICY-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
0.83
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM336087
Similarity: 0.7456
Similarity to MM336087
| Tanimoto metric | 0.7456 |
|---|---|
| Cosine metric | 0.8556 |
| Dice metric | 0.8543 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59571
Similarity: 0.7431
Similarity to MM59571
| Tanimoto metric | 0.7431 |
|---|---|
| Cosine metric | 0.8527 |
| Dice metric | 0.8526 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150717
Similarity: 0.734
Similarity to MM150717
| Tanimoto metric | 0.734 |
|---|---|
| Cosine metric | 0.8568 |
| Dice metric | 0.8466 |
| MW: | 125.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+509 more
