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DocumentationIdentifier: MM389871
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389871 |
| SMILES |
C=COCC(=CF)CNC
|
| InChIKey |
ZRZIKDOJEZFKPS-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
1.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM63307
Similarity: 0.8053
Similarity to MM63307
| Tanimoto metric | 0.8053 |
|---|---|
| Cosine metric | 0.8974 |
| Dice metric | 0.8922 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68661
Similarity: 0.7876
Similarity to MM68661
| Tanimoto metric | 0.7876 |
|---|---|
| Cosine metric | 0.8875 |
| Dice metric | 0.8812 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389668
Similarity: 0.7266
Similarity to MM389668
| Tanimoto metric | 0.7266 |
|---|---|
| Cosine metric | 0.8418 |
| Dice metric | 0.8416 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+422 more
