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DocumentationIdentifier: MM448268
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM448268 |
| SMILES |
CCCC#CC1NC1CC
|
| InChIKey |
ROYODFIPWAFWTM-UHFFFAOYSA-N
|
| MW [Da] |
137.23
Automatically obtained from RDkit software. |
| LogP |
1.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM217286
Similarity: 0.9744
Similarity to MM217286
| Tanimoto metric | 0.9744 |
|---|---|
| Cosine metric | 0.9871 |
| Dice metric | 0.987 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448270
Similarity: 0.928
Similarity to MM448270
| Tanimoto metric | 0.928 |
|---|---|
| Cosine metric | 0.9631 |
| Dice metric | 0.9627 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM128053
Similarity: 0.8974
Similarity to MM128053
| Tanimoto metric | 0.8974 |
|---|---|
| Cosine metric | 0.9473 |
| Dice metric | 0.9459 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+504 more
