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DocumentationIdentifier: MM282244
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM282244 |
| SMILES |
NC(C=CF)C=CCCO
|
| InChIKey |
JHOFAHBICPDNRL-UHFFFAOYSA-N
|
| MW [Da] |
145.18
Automatically obtained from RDkit software. |
| LogP |
0.74
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158099
Similarity: 0.8072
Similarity to MM158099
| Tanimoto metric | 0.8072 |
|---|---|
| Cosine metric | 0.8985 |
| Dice metric | 0.8933 |
| MW: | 129.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM282312
Similarity: 0.7528
Similarity to MM282312
| Tanimoto metric | 0.7528 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.859 |
| MW: | 141.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60401
Similarity: 0.7349
Similarity to MM60401
| Tanimoto metric | 0.7349 |
|---|---|
| Cosine metric | 0.8573 |
| Dice metric | 0.8472 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+411 more
