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DocumentationIdentifier: MM397692
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM397692 |
| SMILES |
CC(C)=C(C=CCO)CN
|
| InChIKey |
QAHMWKQXCPGFQY-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
MM200895
Similarity: 0.8229
Similarity to MM200895
| Tanimoto metric | 0.8229 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9029 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383854
Similarity: 0.7297
Similarity to MM383854
| Tanimoto metric | 0.7297 |
|---|---|
| Cosine metric | 0.8438 |
| Dice metric | 0.8438 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM428438
Similarity: 0.7207
Similarity to MM428438
| Tanimoto metric | 0.7207 |
|---|---|
| Cosine metric | 0.8377 |
| Dice metric | 0.8377 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+561 more
