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DocumentationIdentifier: MM457994
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM457994 |
| SMILES |
N#CC#CC=COC=CF
|
| InChIKey |
IOUJTNUEUAOBHI-UHFFFAOYSA-N
|
| MW [Da] |
137.11
Automatically obtained from RDkit software. |
| LogP |
1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215851
Similarity: 0.8261
Similarity to MM215851
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 119.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM457988
Similarity: 0.7808
Similarity to MM457988
| Tanimoto metric | 0.7808 |
|---|---|
| Cosine metric | 0.8786 |
| Dice metric | 0.8769 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM457990
Similarity: 0.7568
Similarity to MM457990
| Tanimoto metric | 0.7568 |
|---|---|
| Cosine metric | 0.8632 |
| Dice metric | 0.8615 |
| MW: | 138.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+332 more
