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DocumentationIdentifier: MM448014
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM448014 |
| SMILES |
C#CCC=CC1NC1CN
|
| InChIKey |
NQWZSMISBUZVLH-UHFFFAOYSA-N
|
| MW [Da] |
136.2
Automatically obtained from RDkit software. |
| LogP |
-0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM447993
Similarity: 0.8082
Similarity to MM447993
| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.8952 |
| Dice metric | 0.8939 |
| MW: | 141.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM217119
Similarity: 0.7613
Similarity to MM217119
| Tanimoto metric | 0.7613 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8645 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM448001
Similarity: 0.7613
Similarity to MM448001
| Tanimoto metric | 0.7613 |
|---|---|
| Cosine metric | 0.8646 |
| Dice metric | 0.8645 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+178 more
