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DocumentationIdentifier: MM320023
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320023 |
| SMILES |
C#CC(F)C(O)(C#N)CC
|
| InChIKey |
KGKICBNTUFPKSS-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41578
Similarity: 0.7314
Similarity to MM41578
| Tanimoto metric | 0.7314 |
|---|---|
| Cosine metric | 0.8552 |
| Dice metric | 0.8449 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM137589
Similarity: 0.6629
Similarity to MM137589
| Tanimoto metric | 0.6629 |
|---|---|
| Cosine metric | 0.8142 |
| Dice metric | 0.7973 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76734
Similarity: 0.6564
Similarity to MM76734
| Tanimoto metric | 0.6564 |
|---|---|
| Cosine metric | 0.7954 |
| Dice metric | 0.7926 |
| MW: | 138.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+112 more
