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DocumentationIdentifier: MM284445
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM284445 |
| SMILES |
N#CCC#CC(F)=CCF
|
| InChIKey |
QDTDMJWRZJIYEJ-UHFFFAOYSA-N
|
| MW [Da] |
141.12
Automatically obtained from RDkit software. |
| LogP |
1.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170918
Similarity: 0.8247
Similarity to MM170918
| Tanimoto metric | 0.8247 |
|---|---|
| Cosine metric | 0.9082 |
| Dice metric | 0.904 |
| MW: | 123.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284444
Similarity: 0.7523
Similarity to MM284444
| Tanimoto metric | 0.7523 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8586 |
| MW: | 137.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284531
Similarity: 0.7273
Similarity to MM284531
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8423 |
| Dice metric | 0.8421 |
| MW: | 133.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+389 more
