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DocumentationIdentifier: MM75461
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75461 |
| SMILES |
C=C(CO)C(C=CF)CN
|
| InChIKey |
YUMJOHAOVXKJEA-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.59
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75456
Similarity: 0.7344
Similarity to MM75456
| Tanimoto metric | 0.7344 |
|---|---|
| Cosine metric | 0.857 |
| Dice metric | 0.8468 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM75376
Similarity: 0.7338
Similarity to MM75376
| Tanimoto metric | 0.7338 |
|---|---|
| Cosine metric | 0.8472 |
| Dice metric | 0.8464 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180145
Similarity: 0.7109
Similarity to MM180145
| Tanimoto metric | 0.7109 |
|---|---|
| Cosine metric | 0.8432 |
| Dice metric | 0.8311 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
