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DocumentationIdentifier: MM194624
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM194624 |
| SMILES |
CCCC1NC1CCN
|
| InChIKey |
GIMIMFJEJZMSBH-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM127578
Similarity: 0.8261
Similarity to MM127578
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194625
Similarity: 0.8085
Similarity to MM194625
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8972 |
| Dice metric | 0.8941 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM438082
Similarity: 0.7965
Similarity to MM438082
| Tanimoto metric | 0.7965 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8867 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+257 more
