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DocumentationIdentifier: MM345892
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM345892 |
| SMILES |
C#CC1C(CCC=O)N1C
|
| InChIKey |
RJMUGPUTJWCQHZ-UHFFFAOYSA-N
|
| MW [Da] |
137.18
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM218810
Similarity: 0.8148
Similarity to MM218810
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 123.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM439904
Similarity: 0.7107
Similarity to MM439904
| Tanimoto metric | 0.7107 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.8309 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353330
Similarity: 0.6931
Similarity to MM353330
| Tanimoto metric | 0.6931 |
|---|---|
| Cosine metric | 0.8325 |
| Dice metric | 0.8188 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+276 more
