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DocumentationIdentifier: MM194901
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM194901 |
| SMILES |
C=CCN1CC1C=CF
|
| InChIKey |
TVKHBXGBPDPWPF-UHFFFAOYSA-N
|
| MW [Da] |
127.16
Automatically obtained from RDkit software. |
| LogP |
1.34
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: 0.8739
Similarity to MM127973
| Tanimoto metric | 0.8739 |
|---|---|
| Cosine metric | 0.9349 |
| Dice metric | 0.9327 |
| MW: | 115.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM194253
Similarity: 0.7222
Similarity to MM194253
| Tanimoto metric | 0.7222 |
|---|---|
| Cosine metric | 0.8394 |
| Dice metric | 0.8387 |
| MW: | 133.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM127854
Similarity: 0.7143
Similarity to MM127854
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+231 more
