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DocumentationIdentifier: MM447186
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM447186 |
| SMILES |
CCC1CN1CCNC=N
|
| InChIKey |
NIHDCDUZBCQCKJ-UHFFFAOYSA-N
|
| MW [Da] |
141.22
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM447130
Similarity: 0.8361
Similarity to MM447130
| Tanimoto metric | 0.8361 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9107 |
| MW: | 142.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM195427
Similarity: 0.7627
Similarity to MM195427
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.8733 |
| Dice metric | 0.8654 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127619
Similarity: 0.7458
Similarity to MM127619
| Tanimoto metric | 0.7458 |
|---|---|
| Cosine metric | 0.8636 |
| Dice metric | 0.8544 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+213 more
