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DocumentationIdentifier: MM210536
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM210536 |
| SMILES |
CCC(N)C1NC1CC
|
| InChIKey |
QUFGSAKYKPZMTE-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM195991
Similarity: 0.88
Similarity to MM195991
| Tanimoto metric | 0.88 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9362 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM124300
Similarity: 0.8644
Similarity to MM124300
| Tanimoto metric | 0.8644 |
|---|---|
| Cosine metric | 0.9297 |
| Dice metric | 0.9273 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196312
Similarity: 0.8462
Similarity to MM196312
| Tanimoto metric | 0.8462 |
|---|---|
| Cosine metric | 0.9168 |
| Dice metric | 0.9167 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+267 more
