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DocumentationIdentifier: MM216536
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM216536 |
| SMILES |
NCCCC1NC1CN
|
| InChIKey |
PXOQZMHJDQKLNQ-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
MM127579
Similarity: 0.8713
Similarity to MM127579
| Tanimoto metric | 0.8713 |
|---|---|
| Cosine metric | 0.9334 |
| Dice metric | 0.9312 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194148
Similarity: 0.7934
Similarity to MM194148
| Tanimoto metric | 0.7934 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8848 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216535
Similarity: 0.7652
Similarity to MM216535
| Tanimoto metric | 0.7652 |
|---|---|
| Cosine metric | 0.867 |
| Dice metric | 0.867 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+266 more
