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DocumentationIdentifier: MM127579
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM127579 |
| SMILES |
CCCC1NC1CN
|
| InChIKey |
XLBIGHKIVPYJBH-UHFFFAOYSA-N
|
| MW [Da] |
114.19
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM216536
Similarity: 0.8713
Similarity to MM216536
| Tanimoto metric | 0.8713 |
|---|---|
| Cosine metric | 0.9334 |
| Dice metric | 0.9312 |
| MW: | 129.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216535
Similarity: 0.8627
Similarity to MM216535
| Tanimoto metric | 0.8627 |
|---|---|
| Cosine metric | 0.9288 |
| Dice metric | 0.9263 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194628
Similarity: 0.7857
Similarity to MM194628
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+277 more
