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DocumentationIdentifier: MM441363
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM441363 |
| SMILES |
C#CC=CC1NC1CNC
|
| InChIKey |
XNHPSWWPSOHZNA-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
-0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM217119
Similarity: 0.8375
Similarity to MM217119
| Tanimoto metric | 0.8375 |
|---|---|
| Cosine metric | 0.9152 |
| Dice metric | 0.9116 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194828
Similarity: 0.825
Similarity to MM194828
| Tanimoto metric | 0.825 |
|---|---|
| Cosine metric | 0.9083 |
| Dice metric | 0.9041 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448014
Similarity: 0.6704
Similarity to MM448014
| Tanimoto metric | 0.6704 |
|---|---|
| Cosine metric | 0.8047 |
| Dice metric | 0.8027 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+115 more
