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DocumentationIdentifier: MM78966
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78966 |
| SMILES |
CCC(CC)(CC)CN
|
| InChIKey |
ZSUSGBQRHRZDAP-UHFFFAOYSA-N
|
| MW [Da] |
129.25
Automatically obtained from RDkit software. |
| LogP |
2.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM78910
Similarity: 0.9091
Similarity to MM78910
| Tanimoto metric | 0.9091 |
|---|---|
| Cosine metric | 0.9535 |
| Dice metric | 0.9524 |
| MW: | 115.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77991
Similarity: 0.7407
Similarity to MM77991
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8511 |
| MW: | 130.24 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139813
Similarity: 0.7333
Similarity to MM139813
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 129.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+429 more
