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DocumentationIdentifier: MM217519
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM217519 |
| SMILES |
CNCCC(C)N1CC1
|
| InChIKey |
KTYYAKCRGHYBNB-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM398567
Similarity: 0.9556
Similarity to MM398567
| Tanimoto metric | 0.9556 |
|---|---|
| Cosine metric | 0.9775 |
| Dice metric | 0.9773 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448667
Similarity: 0.9556
Similarity to MM448667
| Tanimoto metric | 0.9556 |
|---|---|
| Cosine metric | 0.9775 |
| Dice metric | 0.9773 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM128755
Similarity: 0.8605
Similarity to MM128755
| Tanimoto metric | 0.8605 |
|---|---|
| Cosine metric | 0.9276 |
| Dice metric | 0.925 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+163 more
