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DocumentationIdentifier: MM194625
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM194625 |
| SMILES |
NCCC1NC1CCN
|
| InChIKey |
BPUBRWSBYVFQEI-UHFFFAOYSA-N
|
| MW [Da] |
129.21
Automatically obtained from RDkit software. |
| LogP |
-0.98
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: 0.9744
Similarity to MM127578
| Tanimoto metric | 0.9744 |
|---|---|
| Cosine metric | 0.9871 |
| Dice metric | 0.987 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194624
Similarity: 0.8085
Similarity to MM194624
| Tanimoto metric | 0.8085 |
|---|---|
| Cosine metric | 0.8972 |
| Dice metric | 0.8941 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM100410
Similarity: 0.8077
Similarity to MM100410
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 100.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+211 more
