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DocumentationIdentifier: MM194852
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM194852 |
| SMILES |
NCCN1CC1C=CF
|
| InChIKey |
RVGRVKVRZJHHTB-UHFFFAOYSA-N
|
| MW [Da] |
130.17
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM127973
Similarity: 0.7939
Similarity to MM127973
| Tanimoto metric | 0.7939 |
|---|---|
| Cosine metric | 0.891 |
| Dice metric | 0.8851 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127792
Similarity: 0.7405
Similarity to MM127792
| Tanimoto metric | 0.7405 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8509 |
| MW: | 112.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194901
Similarity: 0.7123
Similarity to MM194901
| Tanimoto metric | 0.7123 |
|---|---|
| Cosine metric | 0.833 |
| Dice metric | 0.832 |
| MW: | 127.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+282 more
