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DocumentationIdentifier: MM448270
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM448270 |
| SMILES |
CCC1NC1C#CCCN
|
| InChIKey |
KQDAZJDZBQZPNR-UHFFFAOYSA-N
|
| MW [Da] |
138.21
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
MM448268
Similarity: 0.928
Similarity to MM448268
| Tanimoto metric | 0.928 |
|---|---|
| Cosine metric | 0.9631 |
| Dice metric | 0.9627 |
| MW: | 137.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM217286
Similarity: 0.9194
Similarity to MM217286
| Tanimoto metric | 0.9194 |
|---|---|
| Cosine metric | 0.9588 |
| Dice metric | 0.958 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM217287
Similarity: 0.8507
Similarity to MM217287
| Tanimoto metric | 0.8507 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9194 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+506 more
